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142016-05-5 | 1H-Pyrrole-2-carbonitrile, 5-chloro-4-methyl-1-[4-[(7-methyl-2-propyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-
CAS No: 142016-05-5 Catalog No: AG001HKE MDL No:
Product Description
Catalog Number:
AG001HKE
Chemical Name:
1H-Pyrrole-2-carbonitrile, 5-chloro-4-methyl-1-[4-[(7-methyl-2-propyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-
CAS Number:
142016-05-5
Molecular Formula:
C23H22ClN5
Molecular Weight:
403.9073
IUPAC Name:
5-chloro-4-methyl-1-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]pyrrole-2-carbonitrile
InChI:
InChI=1S/C23H22ClN5/c1-4-5-20-27-21-15(2)10-11-26-23(21)28(20)14-17-6-8-18(9-7-17)29-19(13-25)12-16(3)22(29)24/h6-12H,4-5,14H2,1-3H3
InChI Key:
FXYITIQDPRDTOV-UHFFFAOYSA-N
SMILES:
CCCc1nc2c(n1Cc1ccc(cc1)n1c(C#N)cc(c1Cl)C)nccc2C
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.156g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.914g/mol
Monoisotopic Mass:
403.156g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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