N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H31N5O — CID 119478999

IUPACN-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC3CCC(N)CC3)c12
InChIInChI=1S/C21H31N5O/c1-12-18-16(20(27)23-15-9-7-14(22)8-10-15)11-17(13-5-6-13)24-19(18)26(25-12)21(2,3)4/h11,13-15H,5-10,22H2,1-4H3,(H,23,27)
InChIKeyRACSSZFACYWLJP-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.37
Rot. Bonds3

About N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119478999) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119478999
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC NameN-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC3CCC(N)CC3)c12
InChIInChI=1S/C21H31N5O/c1-12-18-16(20(27)23-15-9-7-14(22)8-10-15)11-17(13-5-6-13)24-19(18)26(25-12)21(2,3)4/h11,13-15H,5-10,22H2,1-4H3,(H,23,27)
InChIKeyRACSSZFACYWLJP-UHFFFAOYSA-N
XLogP3.37
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-tert-butyl-6-cyclopropyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55786267
1-tert-butyl-6-cyclopropyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55818593
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55761781
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-3-methyl-N-(3-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 120553732
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-(pyrrolidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 119514669
1-tert-butyl-6-cyclopropyl-3-methyl-N-(piperidin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119464534
2-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 120701970
1-tert-butyl-6-cyclopropyl-3-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 94241436
1-tert-butyl-6-cyclopropyl-3-methyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 86948708

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 119478999) is N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC3CCC(N)CC3)c12.
What is the InChIKey of N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RACSSZFACYWLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-12-18-16(20(27)23-15-9-7-14(22)8-10-15)11-17(13-5-6-13)24-19(18)26(25-12)21(2,3)4/h11,13-15H,5-10,22H2,1-4H3,(H,23,27).
What are the key properties of N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119478999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).