7-(2,3-dihydroindole-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one

C24H28N4O3 — CID 178187345

IUPAC7-(2,3-dihydroindole-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
SMILESCOCCN1CC(C(=O)N2CCc3ccccc32)C2NN(c3ccccc3)C(=O)C2C1
InChIInChI=1S/C24H28N4O3/c1-31-14-13-26-15-19(23(29)27-12-11-17-7-5-6-10-21(17)27)22-20(16-26)24(30)28(25-22)18-8-3-2-4-9-18/h2-10,19-20,22,25H,11-16H2,1H3
InChIKeyAWMRAKUOYWVTJA-UHFFFAOYSA-N
MW420.51 g/mol
LogP1.69
Rot. Bonds5

About 7-(2,3-dihydroindole-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one

7-(2,3-dihydroindole-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 178187345) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 7-(2,3-dihydroindole-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name7-(2,3-dihydroindole-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
PubChem CID178187345
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name7-(2,3-dihydroindole-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
SMILESCOCCN1CC(C(=O)N2CCc3ccccc32)C2NN(c3ccccc3)C(=O)C2C1
InChIInChI=1S/C24H28N4O3/c1-31-14-13-26-15-19(23(29)27-12-11-17-7-5-6-10-21(17)27)22-20(16-26)24(30)28(25-22)18-8-3-2-4-9-18/h2-10,19-20,22,25H,11-16H2,1H3
InChIKeyAWMRAKUOYWVTJA-UHFFFAOYSA-N
XLogP1.69
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-[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
N-[2-(cyclohexen-1-yl)ethyl]-5-(2-methoxyethyl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178202054
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-(4-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178187173
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
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-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 109133165
4-[4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 22707855
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

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydroindole-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 7-(2,3-dihydroindole-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one (CID 178187345) is 7-(2,3-dihydroindole-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 7-(2,3-dihydroindole-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 7-(2,3-dihydroindole-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one is COCCN1CC(C(=O)N2CCc3ccccc32)C2NN(c3ccccc3)C(=O)C2C1.
What is the InChIKey of 7-(2,3-dihydroindole-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is AWMRAKUOYWVTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-31-14-13-26-15-19(23(29)27-12-11-17-7-5-6-10-21(17)27)22-20(16-26)24(30)28(25-22)18-8-3-2-4-9-18/h2-10,19-20,22,25H,11-16H2,1H3.
What are the key properties of 7-(2,3-dihydroindole-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one?
7-(2,3-dihydroindole-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 420.51 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydroindole-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 178187345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).