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

C25H28N6O — CID 44822693

IUPACN-(1-butyl-5-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCCn1nc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cc1C
InChIInChI=1S/C25H28N6O/c1-4-5-13-30-16(2)14-22(29-30)27-25(32)20-15-21(18-11-12-18)26-24-23(20)17(3)28-31(24)19-9-7-6-8-10-19/h6-10,14-15,18H,4-5,11-13H2,1-3H3,(H,27,29,32)
InChIKeyMFXTVSLAWFLKJT-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.16
Rot. Bonds7

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

N-(1-butyl-5-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44822693) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is N-(1-butyl-5-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-butyl-5-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44822693
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC NameN-(1-butyl-5-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCCn1nc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cc1C
InChIInChI=1S/C25H28N6O/c1-4-5-13-30-16(2)14-22(29-30)27-25(32)20-15-21(18-11-12-18)26-24-23(20)17(3)28-31(24)19-9-7-6-8-10-19/h6-10,14-15,18H,4-5,11-13H2,1-3H3,(H,27,29,32)
InChIKeyMFXTVSLAWFLKJT-UHFFFAOYSA-N
XLogP5.16
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.16
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
6-cyclopropyl-N-(2,3-dimethylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19616295
N-(4-chloro-1-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823473
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)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821397
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
N-(1-benzyl-5-methylpyrazol-3-yl)-1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19590060
N-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 20928251
6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 19616679
N-(3-chloro-2-methylphenyl)-6-cyclopropyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 20928287
N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46514383

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-5-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1-butyl-5-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 44822693) is N-(1-butyl-5-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-butyl-5-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1-butyl-5-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CCCCn1nc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cc1C.
What is the InChIKey of N-(1-butyl-5-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MFXTVSLAWFLKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-4-5-13-30-16(2)14-22(29-30)27-25(32)20-15-21(18-11-12-18)26-24-23(20)17(3)28-31(24)19-9-7-6-8-10-19/h6-10,14-15,18H,4-5,11-13H2,1-3H3,(H,27,29,32).
What are the key properties of N-(1-butyl-5-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(1-butyl-5-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-5-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44822693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).