2-[4-(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide

C26H34N6O4 — CID 178188038

IUPAC2-[4-(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCN1CC(C(=O)N2CCN(CC(=O)NCc3ccco3)CC2)C2NN(c3ccccc3)C(=O)C2C1
InChIInChI=1S/C26H34N6O4/c1-2-29-16-21(24-22(17-29)26(35)32(28-24)19-7-4-3-5-8-19)25(34)31-12-10-30(11-13-31)18-23(33)27-15-20-9-6-14-36-20/h3-9,14,21-22,24,28H,2,10-13,15-18H2,1H3,(H,27,33)
InChIKeyRFSSYDXERABYMA-UHFFFAOYSA-N
MW494.60 g/mol
LogP0.53
Rot. Bonds7

About 2-[4-(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[4-(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 178188038) has the molecular formula C26H34N6O4 and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-[4-(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID178188038
Molecular FormulaC26H34N6O4
Molecular Weight494.60 g/mol
Exact Mass494.26
IUPAC Name2-[4-(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCN1CC(C(=O)N2CCN(CC(=O)NCc3ccco3)CC2)C2NN(c3ccccc3)C(=O)C2C1
InChIInChI=1S/C26H34N6O4/c1-2-29-16-21(24-22(17-29)26(35)32(28-24)19-7-4-3-5-8-19)25(34)31-12-10-30(11-13-31)18-23(33)27-15-20-9-6-14-36-20/h3-9,14,21-22,24,28H,2,10-13,15-18H2,1H3,(H,27,33)
InChIKeyRFSSYDXERABYMA-UHFFFAOYSA-N
XLogP0.53
TPSA101.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide with MolForge

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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
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
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831
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
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
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
2-(4-ethoxypiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 52728905
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657241
2-(4-benzoylpiperazin-1-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylacetamide
CID 9254974
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 43162513

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 178188038) is 2-[4-(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide is CCN1CC(C(=O)N2CCN(CC(=O)NCc3ccco3)CC2)C2NN(c3ccccc3)C(=O)C2C1.
What is the InChIKey of 2-[4-(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is RFSSYDXERABYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4/c1-2-29-16-21(24-22(17-29)26(35)32(28-24)19-7-4-3-5-8-19)25(34)31-12-10-30(11-13-31)18-23(33)27-15-20-9-6-14-36-20/h3-9,14,21-22,24,28H,2,10-13,15-18H2,1H3,(H,27,33).
What are the key properties of 2-[4-(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[4-(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 494.60 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 178188038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).