1-tert-butyl-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H34N6O — CID 60516251

IUPAC1-tert-butyl-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(N4CCCCC4)cn3)c12
InChIInChI=1S/C25H34N6O/c1-16(2)20-14-19(22-17(3)29-31(23(22)27-20)25(4,5)6)24(32)28-21-11-10-18(15-26-21)30-12-8-7-9-13-30/h10-11,14-16H,7-9,12-13H2,1-6H3,(H,26,28,32)
InChIKeyCLXUVTCYGRNORG-UHFFFAOYSA-N
MW434.59 g/mol
LogP5.26
Rot. Bonds4

About 1-tert-butyl-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 60516251) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID60516251
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Name1-tert-butyl-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(N4CCCCC4)cn3)c12
InChIInChI=1S/C25H34N6O/c1-16(2)20-14-19(22-17(3)29-31(23(22)27-20)25(4,5)6)24(32)28-21-11-10-18(15-26-21)30-12-8-7-9-13-30/h10-11,14-16H,7-9,12-13H2,1-6H3,(H,26,28,32)
InChIKeyCLXUVTCYGRNORG-UHFFFAOYSA-N
XLogP5.26
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-tert-butyl-3-methyl-6-propan-2-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55852166
1-tert-butyl-3-methyl-6-propan-2-yl-N-quinolin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55756234
1-tert-butyl-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55758419
1-tert-butyl-3-methyl-6-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 78884878
(2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119368591
4-[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,4-diazepan-1-yl]benzonitrile
CID 55840032
N-[1-(aminomethyl)cyclopentyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119566977
(3S)-1-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 120514222
1-tert-butyl-N-[2-(difluoromethylsulfonyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55760550
1-tert-butyl-3-methyl-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146102286
1-tert-butyl-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55805496
1-tert-butyl-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55782732

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 60516251) is 1-tert-butyl-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(N4CCCCC4)cn3)c12.
What is the InChIKey of 1-tert-butyl-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CLXUVTCYGRNORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O/c1-16(2)20-14-19(22-17(3)29-31(23(22)27-20)25(4,5)6)24(32)28-21-11-10-18(15-26-21)30-12-8-7-9-13-30/h10-11,14-16H,7-9,12-13H2,1-6H3,(H,26,28,32).
What are the key properties of 1-tert-butyl-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-tert-butyl-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 434.59 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 60516251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).