N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C28H36N6O2 — CID 55761781

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)c12
InChIInChI=1S/C28H36N6O2/c1-18-25-22(16-23(19-10-11-19)31-26(25)34(32-18)28(2,3)4)27(36)30-21-12-14-33(15-13-21)17-24(35)29-20-8-6-5-7-9-20/h5-9,16,19,21H,10-15,17H2,1-4H3,(H,29,35)(H,30,36)
InChIKeyCYISWJRNAIBJML-UHFFFAOYSA-N
MW488.64 g/mol
LogP4.21
Rot. Bonds6

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55761781) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55761781
Molecular FormulaC28H36N6O2
Molecular Weight488.64 g/mol
Exact Mass488.29
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)c12
InChIInChI=1S/C28H36N6O2/c1-18-25-22(16-23(19-10-11-19)31-26(25)34(32-18)28(2,3)4)27(36)30-21-12-14-33(15-13-21)17-24(35)29-20-8-6-5-7-9-20/h5-9,16,19,21H,10-15,17H2,1-4H3,(H,29,35)(H,30,36)
InChIKeyCYISWJRNAIBJML-UHFFFAOYSA-N
XLogP4.21
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119478999
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55706561
1-tert-butyl-6-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55949801
1-tert-butyl-6-cyclopropyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55818593
1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55762394
1-tert-butyl-6-cyclopropyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55786267
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119459503
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55547863
1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55759790
1-tert-butyl-N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55756167
1-tert-butyl-6-cyclopropyl-3-methyl-N-(2-pyridin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55818624
1-tert-butyl-6-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55754895

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55761781) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)c12.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CYISWJRNAIBJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2/c1-18-25-22(16-23(19-10-11-19)31-26(25)34(32-18)28(2,3)4)27(36)30-21-12-14-33(15-13-21)17-24(35)29-20-8-6-5-7-9-20/h5-9,16,19,21H,10-15,17H2,1-4H3,(H,29,35)(H,30,36).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 488.64 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55761781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).