N-(3-chloro-2-methylphenyl)-6-cyclopropyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C25H23ClN4O — CID 20928287

IUPACN-(3-chloro-2-methylphenyl)-6-cyclopropyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-n2nc(C)c3c(C(=O)Nc4cccc(Cl)c4C)cc(C4CC4)nc32)cc1
InChIInChI=1S/C25H23ClN4O/c1-14-7-11-18(12-8-14)30-24-23(16(3)29-30)19(13-22(27-24)17-9-10-17)25(31)28-21-6-4-5-20(26)15(21)2/h4-8,11-13,17H,9-10H2,1-3H3,(H,28,31)
InChIKeyMAQQWNAKQNPSPC-UHFFFAOYSA-N
MW430.94 g/mol
LogP6.13
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-6-cyclopropyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-(3-chloro-2-methylphenyl)-6-cyclopropyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 20928287) has the molecular formula C25H23ClN4O and a molecular weight of 430.94 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6-cyclopropyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6-cyclopropyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID20928287
Molecular FormulaC25H23ClN4O
Molecular Weight430.94 g/mol
Exact Mass430.16
IUPAC NameN-(3-chloro-2-methylphenyl)-6-cyclopropyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-n2nc(C)c3c(C(=O)Nc4cccc(Cl)c4C)cc(C4CC4)nc32)cc1
InChIInChI=1S/C25H23ClN4O/c1-14-7-11-18(12-8-14)30-24-23(16(3)29-30)19(13-22(27-24)17-9-10-17)25(31)28-21-6-4-5-20(26)15(21)2/h4-8,11-13,17H,9-10H2,1-3H3,(H,28,31)
InChIKeyMAQQWNAKQNPSPC-UHFFFAOYSA-N
XLogP6.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-N-(2,3-dimethylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19616295
N-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 20928251
6-cyclopropyl-N-(2,5-diethoxyphenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 20928303
N-(4-chloro-1-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823473
6-cyclopropyl-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17026278
6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 19616679
methyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616678
N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17026552
N-(1-butyl-5-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822693
1-tert-butyl-N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55756167
N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928182
3-methyl-1-(4-methylphenyl)-6-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 2551666

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6-cyclopropyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6-cyclopropyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 20928287) is N-(3-chloro-2-methylphenyl)-6-cyclopropyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6-cyclopropyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6-cyclopropyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-n2nc(C)c3c(C(=O)Nc4cccc(Cl)c4C)cc(C4CC4)nc32)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6-cyclopropyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MAQQWNAKQNPSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O/c1-14-7-11-18(12-8-14)30-24-23(16(3)29-30)19(13-22(27-24)17-9-10-17)25(31)28-21-6-4-5-20(26)15(21)2/h4-8,11-13,17H,9-10H2,1-3H3,(H,28,31).
What are the key properties of N-(3-chloro-2-methylphenyl)-6-cyclopropyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(3-chloro-2-methylphenyl)-6-cyclopropyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 430.94 g/mol, XLogP of 6.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-6-cyclopropyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 20928287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).