3-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide

C25H32N4O2 — CID 178186755

IUPAC3-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCCCN1CC(C(=O)Nc2ccc(C(C)C)cc2)C2NN(c3ccccc3)C(=O)C2C1
InChIInChI=1S/C25H32N4O2/c1-4-14-28-15-21(24(30)26-19-12-10-18(11-13-19)17(2)3)23-22(16-28)25(31)29(27-23)20-8-6-5-7-9-20/h5-13,17,21-23,27H,4,14-16H2,1-3H3,(H,26,30)
InChIKeyITBCVUYAWWHQAW-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.63
Rot. Bonds6

About 3-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide

3-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 178186755) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID178186755
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name3-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCCCN1CC(C(=O)Nc2ccc(C(C)C)cc2)C2NN(c3ccccc3)C(=O)C2C1
InChIInChI=1S/C25H32N4O2/c1-4-14-28-15-21(24(30)26-19-12-10-18(11-13-19)17(2)3)23-22(16-28)25(31)29(27-23)20-8-6-5-7-9-20/h5-13,17,21-23,27H,4,14-16H2,1-3H3,(H,26,30)
InChIKeyITBCVUYAWWHQAW-UHFFFAOYSA-N
XLogP3.63
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethoxyethyl)-3-oxo-2-phenyl-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178187728
methyl 4-[(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)amino]benzoate
CID 178187270
N-(4-bromo-2-methylphenyl)-3-oxo-2-phenyl-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178186736
N-[4-(dimethylamino)phenyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178187396
N-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-prop-2-enyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178186742
7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-phenyl-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178186547
5-ethyl-N-(4-methyl-2-pyridinyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178188285
5-ethyl-N-[2-(4-methoxyphenyl)ethyl]-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178187298
7-(4-acetylpiperazine-1-carbonyl)-5-ethyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178188124
5-ethyl-7-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178188116
2-[4-(5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 178188112
7-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178187777

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of 3-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide (CID 178186755) is 3-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 3-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for 3-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide is CCCN1CC(C(=O)Nc2ccc(C(C)C)cc2)C2NN(c3ccccc3)C(=O)C2C1.
What is the InChIKey of 3-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is ITBCVUYAWWHQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-4-14-28-15-21(24(30)26-19-12-10-18(11-13-19)17(2)3)23-22(16-28)25(31)29(27-23)20-8-6-5-7-9-20/h5-13,17,21-23,27H,4,14-16H2,1-3H3,(H,26,30).
What are the key properties of 3-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
3-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 178186755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).