1,3-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H31N5O — CID 55522873

IUPAC1,3-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCC(C)(C)N3CCCCC3)c12
InChIInChI=1S/C24H31N5O/c1-17-21-19(23(30)25-16-24(2,3)29-13-9-6-10-14-29)15-20(18-11-7-5-8-12-18)26-22(21)28(4)27-17/h5,7-8,11-12,15H,6,9-10,13-14,16H2,1-4H3,(H,25,30)
InChIKeyXAPHTXJDCOTISI-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.94
Rot. Bonds5

About 1,3-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55522873) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55522873
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name1,3-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCC(C)(C)N3CCCCC3)c12
InChIInChI=1S/C24H31N5O/c1-17-21-19(23(30)25-16-24(2,3)29-13-9-6-10-14-29)15-20(18-11-7-5-8-12-18)26-22(21)28(4)27-17/h5,7-8,11-12,15H,6,9-10,13-14,16H2,1-4H3,(H,25,30)
InChIKeyXAPHTXJDCOTISI-UHFFFAOYSA-N
XLogP3.94
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-ethylbutyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119641473
N-(2-hydroxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56763090
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 71753941
1,3-dimethyl-N-(4-morpholin-4-ylbutyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55811199
1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 36714359
N-[1-(diethylcarbamoyl)cyclohexyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 47068312
2-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120531897
N-(3-amino-2-methylpropyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119997751
1,3-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55500586
1,3-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 48733516
N-[2-(4-methoxyphenoxy)ethyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46442920
1,3-dimethyl-6-phenyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 154806949

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55522873) is 1,3-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCC(C)(C)N3CCCCC3)c12.
What is the InChIKey of 1,3-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XAPHTXJDCOTISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-17-21-19(23(30)25-16-24(2,3)29-13-9-6-10-14-29)15-20(18-11-7-5-8-12-18)26-22(21)28(4)27-17/h5,7-8,11-12,15H,6,9-10,13-14,16H2,1-4H3,(H,25,30).
What are the key properties of 1,3-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
1,3-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 405.55 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55522873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).