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Home > Pyridines > 866765-35-7
866765-35-7 | 5-(6-CYCLOPROPYL-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)-4-ETHYL-4H-+
CAS No: 866765-35-7 Catalog No: AG01AO72 MDL No:MFCD06196429
Product Description
Catalog Number:
AG01AO72
Chemical Name:
5-(6-CYCLOPROPYL-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)-4-ETHYL-4H-+
CAS Number:
866765-35-7
Molecular Formula:
C15H18N6S
Molecular Weight:
314.4086
MDL Number:
MFCD06196429
IUPAC Name:
3-(6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-4-ethyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C15H18N6S/c1-4-21-13(17-18-15(21)22)10-7-11(9-5-6-9)16-14-12(10)8(2)19-20(14)3/h7,9H,4-6H2,1-3H3,(H,18,22)
InChI Key:
AADKQCZRBGPWHV-UHFFFAOYSA-N
SMILES:
CCn1c(S)nnc1c1cc(nc2c1c(C)nn2C)C1CC1
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.131g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.411g/mol
Monoisotopic Mass:
314.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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