5-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one

C25H26N4O3 — CID 134801639

IUPAC5-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1cccc(C(=O)N2CCC(N3C(=O)c4c(c(C)nn4-c4ccccc4)C3C)C2)c1
InChIInChI=1S/C25H26N4O3/c1-16-22-17(2)28(25(31)23(22)29(26-16)19-9-5-4-6-10-19)20-12-13-27(15-20)24(30)18-8-7-11-21(14-18)32-3/h4-11,14,17,20H,12-13,15H2,1-3H3
InChIKeyXAXQEASXQFLJEX-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.62
Rot. Bonds4

About 5-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one

5-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 134801639) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 5-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name5-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID134801639
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name5-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1cccc(C(=O)N2CCC(N3C(=O)c4c(c(C)nn4-c4ccccc4)C3C)C2)c1
InChIInChI=1S/C25H26N4O3/c1-16-22-17(2)28(25(31)23(22)29(26-16)19-9-5-4-6-10-19)20-12-13-27(15-20)24(30)18-8-7-11-21(14-18)32-3/h4-11,14,17,20H,12-13,15H2,1-3H3
InChIKeyXAXQEASXQFLJEX-UHFFFAOYSA-N
XLogP3.62
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-benzoylpiperidin-3-yl)-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134800702
5-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-methyl-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134803369
5-[1-(4-chlorobenzoyl)azetidin-3-yl]-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134801102
5-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3-methyl-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134800801
5-[1-(6-chloropyridine-3-carbonyl)piperidin-3-yl]-3-methyl-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134803511
3-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 55677723
[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 2912264
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
(3-methoxyphenyl)-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 2465576
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579499
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 5-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 134801639) is 5-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 5-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 5-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one is COc1cccc(C(=O)N2CCC(N3C(=O)c4c(c(C)nn4-c4ccccc4)C3C)C2)c1.
What is the InChIKey of 5-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is XAXQEASXQFLJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16-22-17(2)28(25(31)23(22)29(26-16)19-9-5-4-6-10-19)20-12-13-27(15-20)24(30)18-8-7-11-21(14-18)32-3/h4-11,14,17,20H,12-13,15H2,1-3H3.
What are the key properties of 5-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
5-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 430.51 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 134801639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).