1-tert-butyl-6-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H31N5O3 — CID 55754895

IUPAC1-tert-butyl-6-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1
InChIInChI=1S/C25H31N5O3/c1-15-22-19(13-20(16-10-11-16)27-23(22)30(28-15)25(2,3)4)24(32)29(5)14-21(31)26-17-8-7-9-18(12-17)33-6/h7-9,12-13,16H,10-11,14H2,1-6H3,(H,26,31)
InChIKeyHHCZPHZJMOYUOW-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.09
Rot. Bonds6

About 1-tert-butyl-6-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-6-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55754895) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 1-tert-butyl-6-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-6-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55754895
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name1-tert-butyl-6-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1
InChIInChI=1S/C25H31N5O3/c1-15-22-19(13-20(16-10-11-16)27-23(22)30(28-15)25(2,3)4)24(32)29(5)14-21(31)26-17-8-7-9-18(12-17)33-6/h7-9,12-13,16H,10-11,14H2,1-6H3,(H,26,31)
InChIKeyHHCZPHZJMOYUOW-UHFFFAOYSA-N
XLogP4.09
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-6-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

methyl 3-[benzyl-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate
CID 55758927
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55761781
6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38398974
methyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate
CID 55755035
6-chloro-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide
CID 41377679
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119478999
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9162156
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 47005438
(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119542339
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46577418

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-6-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55754895) is 1-tert-butyl-6-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-6-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-6-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(NC(=O)CN(C)C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-6-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HHCZPHZJMOYUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-15-22-19(13-20(16-10-11-16)27-23(22)30(28-15)25(2,3)4)24(32)29(5)14-21(31)26-17-8-7-9-18(12-17)33-6/h7-9,12-13,16H,10-11,14H2,1-6H3,(H,26,31).
What are the key properties of 1-tert-butyl-6-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-tert-butyl-6-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55754895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).