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

C21H19ClN6O — CID 44823473

IUPACN-(4-chloro-1-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3nn(C)cc3Cl)c12
InChIInChI=1S/C21H19ClN6O/c1-12-18-15(21(29)24-19-16(22)11-27(2)26-19)10-17(13-8-9-13)23-20(18)28(25-12)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3,(H,24,26,29)
InChIKeyBNVKJZDLPDDNGH-UHFFFAOYSA-N
MW406.88 g/mol
LogP4.25
Rot. Bonds4

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

N-(4-chloro-1-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44823473) has the molecular formula C21H19ClN6O and a molecular weight of 406.88 g/mol. Its IUPAC name is N-(4-chloro-1-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44823473
Molecular FormulaC21H19ClN6O
Molecular Weight406.88 g/mol
Exact Mass406.13
IUPAC NameN-(4-chloro-1-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3nn(C)cc3Cl)c12
InChIInChI=1S/C21H19ClN6O/c1-12-18-15(21(29)24-19-16(22)11-27(2)26-19)10-17(13-8-9-13)23-20(18)28(25-12)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3,(H,24,26,29)
InChIKeyBNVKJZDLPDDNGH-UHFFFAOYSA-N
XLogP4.25
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.88
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 20928251
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-(1-benzylpyrazol-4-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17026552
N-(3-chloro-2-methylphenyl)-6-cyclopropyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 20928287
N-(1-butyl-5-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822693
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-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 19616679
6-cyclopropyl-N-(3,5-dichloro-2-pyridinyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35337408
6-cyclopropyl-N-[(1R)-1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51854041
6-cyclopropyl-1,3-dimethyl-N-(3-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 31769500
1-benzyl-6-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821521

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-chloro-1-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 44823473) is N-(4-chloro-1-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-1-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-chloro-1-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3nn(C)cc3Cl)c12.
What is the InChIKey of N-(4-chloro-1-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BNVKJZDLPDDNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O/c1-12-18-15(21(29)24-19-16(22)11-27(2)26-19)10-17(13-8-9-13)23-20(18)28(25-12)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3,(H,24,26,29).
What are the key properties of N-(4-chloro-1-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(4-chloro-1-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 406.88 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methylpyrazol-3-yl)-6-cyclopropyl-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44823473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).