1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C25H29N5O2 — CID 55759790

IUPAC1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C
InChIInChI=1S/C25H29N5O2/c1-6-13-26-23(31)17-9-7-8-10-19(17)28-24(32)18-14-20(16-11-12-16)27-22-21(18)15(2)29-30(22)25(3,4)5/h6-10,14,16H,1,11-13H2,2-5H3,(H,26,31)(H,28,32)
InChIKeyPNLWCFWJLFFZNK-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.54
Rot. Bonds6

About 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55759790) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55759790
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C
InChIInChI=1S/C25H29N5O2/c1-6-13-26-23(31)17-9-7-8-10-19(17)28-24(32)18-14-20(16-11-12-16)27-22-21(18)15(2)29-30(22)25(3,4)5/h6-10,14,16H,1,11-13H2,2-5H3,(H,26,31)(H,28,32)
InChIKeyPNLWCFWJLFFZNK-UHFFFAOYSA-N
XLogP4.54
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-cyclopropyl-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609834
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-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-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55786267
N-(2-amino-5-methoxyphenyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119421790
1-tert-butyl-6-cyclopropyl-3-methyl-N-(2-pyridin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55818624
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-3-methyl-N-(piperidin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119464534
N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119478999
1-tert-butyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55757650
tert-butyl N-[5-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-2-fluorophenyl]carbamate
CID 55801961

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55759790) is 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is C=CCNC(=O)c1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C.
What is the InChIKey of 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PNLWCFWJLFFZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-6-13-26-23(31)17-9-7-8-10-19(17)28-24(32)18-14-20(16-11-12-16)27-22-21(18)15(2)29-30(22)25(3,4)5/h6-10,14,16H,1,11-13H2,2-5H3,(H,26,31)(H,28,32).
What are the key properties of 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55759790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).