5-ethyl-N-(4-methyl-2-pyridinyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide

C21H25N5O2 — CID 178188285

IUPAC5-ethyl-N-(4-methyl-2-pyridinyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCCN1CC(C(=O)Nc2cc(C)ccn2)C2NN(c3ccccc3)C(=O)C2C1
InChIInChI=1S/C21H25N5O2/c1-3-25-12-16(20(27)23-18-11-14(2)9-10-22-18)19-17(13-25)21(28)26(24-19)15-7-5-4-6-8-15/h4-11,16-17,19,24H,3,12-13H2,1-2H3,(H,22,23,27)
InChIKeyQFZWVPPJAAKLNO-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.82
Rot. Bonds4

About 5-ethyl-N-(4-methyl-2-pyridinyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide

5-ethyl-N-(4-methyl-2-pyridinyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 178188285) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-ethyl-N-(4-methyl-2-pyridinyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(4-methyl-2-pyridinyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID178188285
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-ethyl-N-(4-methyl-2-pyridinyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCCN1CC(C(=O)Nc2cc(C)ccn2)C2NN(c3ccccc3)C(=O)C2C1
InChIInChI=1S/C21H25N5O2/c1-3-25-12-16(20(27)23-18-11-14(2)9-10-22-18)19-17(13-25)21(28)26(24-19)15-7-5-4-6-8-15/h4-11,16-17,19,24H,3,12-13H2,1-2H3,(H,22,23,27)
InChIKeyQFZWVPPJAAKLNO-UHFFFAOYSA-N
XLogP1.82
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-N-(4-methyl-2-pyridinyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide with MolForge

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Related Compounds

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
ethyl 2-[2-[(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 178187759
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-N-[2-(4-methoxyphenyl)ethyl]-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178187298
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
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
5-ethyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178187721
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
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
5-(3-methoxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178188089
5-ethyl-2-phenyl-7-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178187118
5-ethyl-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178187173

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(4-methyl-2-pyridinyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of 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) is 5-ethyl-N-(4-methyl-2-pyridinyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-ethyl-N-(4-methyl-2-pyridinyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for 5-ethyl-N-(4-methyl-2-pyridinyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide is CCN1CC(C(=O)Nc2cc(C)ccn2)C2NN(c3ccccc3)C(=O)C2C1.
What is the InChIKey of 5-ethyl-N-(4-methyl-2-pyridinyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is QFZWVPPJAAKLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-3-25-12-16(20(27)23-18-11-14(2)9-10-22-18)19-17(13-25)21(28)26(24-19)15-7-5-4-6-8-15/h4-11,16-17,19,24H,3,12-13H2,1-2H3,(H,22,23,27).
What are the key properties of 5-ethyl-N-(4-methyl-2-pyridinyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
5-ethyl-N-(4-methyl-2-pyridinyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(4-methyl-2-pyridinyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 178188285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).