5-ethyl-7-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one

C30H35N5O2 — CID 178186697

IUPAC5-ethyl-7-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
SMILESCCN1CC(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)C2NN(c3ccccc3)C(=O)C2C1
InChIInChI=1S/C30H35N5O2/c1-2-32-20-26(28-27(21-32)30(37)35(31-28)24-12-4-3-5-13-24)29(36)34-17-15-33(16-18-34)19-23-11-8-10-22-9-6-7-14-25(22)23/h3-14,26-28,31H,2,15-21H2,1H3
InChIKeyYYPQJRDEVQKKGF-UHFFFAOYSA-N
MW497.64 g/mol
LogP2.97
Rot. Bonds5

About 5-ethyl-7-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one

5-ethyl-7-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 178186697) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is 5-ethyl-7-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name5-ethyl-7-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
PubChem CID178186697
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC Name5-ethyl-7-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
SMILESCCN1CC(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)C2NN(c3ccccc3)C(=O)C2C1
InChIInChI=1S/C30H35N5O2/c1-2-32-20-26(28-27(21-32)30(37)35(31-28)24-12-4-3-5-13-24)29(36)34-17-15-33(16-18-34)19-23-11-8-10-22-9-6-7-14-25(22)23/h3-14,26-28,31H,2,15-21H2,1H3
InChIKeyYYPQJRDEVQKKGF-UHFFFAOYSA-N
XLogP2.97
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-ethyl-7-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178187928
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
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
7-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178187334
7-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178187335
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
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
1-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9397930
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
cyclobutyl-[4-(naphthalen-1-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 171329068

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 5-ethyl-7-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one (CID 178186697) is 5-ethyl-7-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 5-ethyl-7-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 5-ethyl-7-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one is CCN1CC(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)C2NN(c3ccccc3)C(=O)C2C1.
What is the InChIKey of 5-ethyl-7-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is YYPQJRDEVQKKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2/c1-2-32-20-26(28-27(21-32)30(37)35(31-28)24-12-4-3-5-13-24)29(36)34-17-15-33(16-18-34)19-23-11-8-10-22-9-6-7-14-25(22)23/h3-14,26-28,31H,2,15-21H2,1H3.
What are the key properties of 5-ethyl-7-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one?
5-ethyl-7-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 497.64 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 178186697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).