N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C27H24N6O — CID 17026552

IUPACN-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cnn(Cc4ccccc4)c3)c12
InChIInChI=1S/C27H24N6O/c1-18-25-23(27(34)29-21-15-28-32(17-21)16-19-8-4-2-5-9-19)14-24(20-12-13-20)30-26(25)33(31-18)22-10-6-3-7-11-22/h2-11,14-15,17,20H,12-13,16H2,1H3,(H,29,34)
InChIKeyFXXILXPVZVDBOS-UHFFFAOYSA-N
MW448.53 g/mol
LogP5.10
Rot. Bonds6

About N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 17026552) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID17026552
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC NameN-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cnn(Cc4ccccc4)c3)c12
InChIInChI=1S/C27H24N6O/c1-18-25-23(27(34)29-21-15-28-32(17-21)16-19-8-4-2-5-9-19)14-24(20-12-13-20)30-26(25)33(31-18)22-10-6-3-7-11-22/h2-11,14-15,17,20H,12-13,16H2,1H3,(H,29,34)
InChIKeyFXXILXPVZVDBOS-UHFFFAOYSA-N
XLogP5.10
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17026278
N-(4-chloro-1-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823473
6-cyclopropyl-N-(2,3-dimethylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19616295
1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea
CID 19588616
N-(1-butyl-5-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822693
1-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19588520
N-(1-benzylpyrazol-4-yl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19505743
3,6-dicyclopropyl-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17026048
N-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 20928251
N,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821533
6-cyclopropyl-N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51854055
6-cyclopropyl-N-[(1R)-1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51854041

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 17026552) is N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cnn(Cc4ccccc4)c3)c12.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FXXILXPVZVDBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O/c1-18-25-23(27(34)29-21-15-28-32(17-21)16-19-8-4-2-5-9-19)14-24(20-12-13-20)30-26(25)33(31-18)22-10-6-3-7-11-22/h2-11,14-15,17,20H,12-13,16H2,1H3,(H,29,34).
What are the key properties of N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 17026552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).