1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C19H26N4O3 — CID 75402967

IUPAC1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)NC3(C(=O)O)CCCCC3)c12
InChIInChI=1S/C19H26N4O3/c1-11(2)14-10-13(15-12(3)22-23(4)16(15)20-14)17(24)21-19(18(25)26)8-6-5-7-9-19/h10-11H,5-9H2,1-4H3,(H,21,24)(H,25,26)
InChIKeyMWYSOFOTWQVSSL-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.92
Rot. Bonds4

About 1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 75402967) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID75402967
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)NC3(C(=O)O)CCCCC3)c12
InChIInChI=1S/C19H26N4O3/c1-11(2)14-10-13(15-12(3)22-23(4)16(15)20-14)17(24)21-19(18(25)26)8-6-5-7-9-19/h10-11H,5-9H2,1-4H3,(H,21,24)(H,25,26)
InChIKeyMWYSOFOTWQVSSL-UHFFFAOYSA-N
XLogP2.92
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

Methyl 3-methyl-2-(3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-B]pyridin-5-YL}propanamido)butanoate
CID 16012516
6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 9269197
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 68295468
1-tert-butyl-6-cyclopropyl-N-[2-(dimethylamino)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166627651
6-(4-Acetamidophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600397
6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 168286295
6-cyclopropyl-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17480898
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 41507217
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 68350990
N-(2-hydroxyethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 78823829
1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(methylamino)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 119504290
6-cyclopropyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166633594

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 75402967) is 1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1nn(C)c2nc(C(C)C)cc(C(=O)NC3(C(=O)O)CCCCC3)c12.
What is the InChIKey of 1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is MWYSOFOTWQVSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-11(2)14-10-13(15-12(3)22-23(4)16(15)20-14)17(24)21-19(18(25)26)8-6-5-7-9-19/h10-11H,5-9H2,1-4H3,(H,21,24)(H,25,26).
What are the key properties of 1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 358.44 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 75402967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).