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1421249-72-0 | 8-Azabicyclo[3.2.1]octane, 8-[2-(3,5-dimethyl-1H-indazol-4-yl)-5,6,7,8-tetrahydro-6-[2-methyl-5-(1-methylethyl)phenyl]pyrido[4,3-d]pyrimidin-4-yl]-3-methoxy-
CAS No: 1421249-72-0 Catalog No: AG001HTC MDL No:
Product Description
Catalog Number:
AG001HTC
Chemical Name:
8-Azabicyclo[3.2.1]octane, 8-[2-(3,5-dimethyl-1H-indazol-4-yl)-5,6,7,8-tetrahydro-6-[2-methyl-5-(1-methylethyl)phenyl]pyrido[4,3-d]pyrimidin-4-yl]-3-methoxy-
CAS Number:
1421249-72-0
Molecular Formula:
C34H42N6O
Molecular Weight:
550.7369
IUPAC Name:
2-(3,5-dimethyl-2H-indazol-4-yl)-4-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
InChI:
InChI=1S/C34H42N6O/c1-19(2)23-9-7-20(3)30(15-23)39-14-13-28-27(18-39)34(40-24-10-11-25(40)17-26(16-24)41-6)36-33(35-28)31-21(4)8-12-29-32(31)22(5)37-38-29/h7-9,12,15,19,24-26H,10-11,13-14,16-18H2,1-6H3,(H,37,38)
InChI Key:
SGJWZJIJXLOLOC-UHFFFAOYSA-N
SMILES:
COC1CC2CCC(C1)N2c1nc(nc2c1CN(CC2)c1cc(ccc1C)C(C)C)c1c(C)ccc2c1c(C)n[nH]2
Properties
Complexity:
888
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
550.342g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
550.751g/mol
Monoisotopic Mass:
550.342g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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