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

C26H40N6O3 — CID 178188112

IUPAC2-[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
SMILESCC(C)N(C(=O)CN1CCN(C(=O)C2CN(C)CC3C(=O)N(c4ccccc4)NC23)CC1)C(C)C
InChIInChI=1S/C26H40N6O3/c1-18(2)31(19(3)4)23(33)17-29-11-13-30(14-12-29)25(34)21-15-28(5)16-22-24(21)27-32(26(22)35)20-9-7-6-8-10-20/h6-10,18-19,21-22,24,27H,11-17H2,1-5H3
InChIKeyGFFADCKPPYWBKB-UHFFFAOYSA-N
MW484.65 g/mol
LogP0.87
Rot. Bonds6

About 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

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 (PubChem CID 178188112) has the molecular formula C26H40N6O3 and a molecular weight of 484.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID178188112
Molecular FormulaC26H40N6O3
Molecular Weight484.65 g/mol
Exact Mass484.32
IUPAC Name2-[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
SMILESCC(C)N(C(=O)CN1CCN(C(=O)C2CN(C)CC3C(=O)N(c4ccccc4)NC23)CC1)C(C)C
InChIInChI=1S/C26H40N6O3/c1-18(2)31(19(3)4)23(33)17-29-11-13-30(14-12-29)25(34)21-15-28(5)16-22-24(21)27-32(26(22)35)20-9-7-6-8-10-20/h6-10,18-19,21-22,24,27H,11-17H2,1-5H3
InChIKeyGFFADCKPPYWBKB-UHFFFAOYSA-N
XLogP0.87
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 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
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
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
7-(azepane-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178202052
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
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-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178187970
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
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N(C(=O)CN1CCN(C(=O)C2CN(C)CC3C(=O)N(c4ccccc4)NC23)CC1)C(C)C.
What is the InChIKey of 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?
The InChIKey is GFFADCKPPYWBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N6O3/c1-18(2)31(19(3)4)23(33)17-29-11-13-30(14-12-29)25(34)21-15-28(5)16-22-24(21)27-32(26(22)35)20-9-7-6-8-10-20/h6-10,18-19,21-22,24,27H,11-17H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 484.65 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178188112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).