5-(1-benzoylpiperidin-3-yl)-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one

C27H28N4O2 — CID 134800702

IUPAC5-(1-benzoylpiperidin-3-yl)-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(-c2ccccc2)c2c1C(C1CC1)N(C1CCCN(C(=O)c3ccccc3)C1)C2=O
InChIInChI=1S/C27H28N4O2/c1-18-23-24(19-14-15-19)30(27(33)25(23)31(28-18)21-11-6-3-7-12-21)22-13-8-16-29(17-22)26(32)20-9-4-2-5-10-20/h2-7,9-12,19,22,24H,8,13-17H2,1H3
InChIKeyWEQQLIXADMZOGD-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.39
Rot. Bonds4

About 5-(1-benzoylpiperidin-3-yl)-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one

5-(1-benzoylpiperidin-3-yl)-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 134800702) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 5-(1-benzoylpiperidin-3-yl)-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name5-(1-benzoylpiperidin-3-yl)-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID134800702
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name5-(1-benzoylpiperidin-3-yl)-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(-c2ccccc2)c2c1C(C1CC1)N(C1CCCN(C(=O)c3ccccc3)C1)C2=O
InChIInChI=1S/C27H28N4O2/c1-18-23-24(19-14-15-19)30(27(33)25(23)31(28-18)21-11-6-3-7-12-21)22-13-8-16-29(17-22)26(32)20-9-4-2-5-10-20/h2-7,9-12,19,22,24H,8,13-17H2,1H3
InChIKeyWEQQLIXADMZOGD-UHFFFAOYSA-N
XLogP4.39
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1-benzoylpiperidin-3-yl)-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one with MolForge

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Related Compounds

4-cyclopropyl-3-methyl-1-phenyl-5-[1-(pyridine-4-carbonyl)azetidin-3-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134801487
5-[1-(4-chlorobenzoyl)azetidin-3-yl]-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134801102
N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)pyrrolidine-1-carboxamide
CID 134802811
N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)azetidine-1-carboxamide
CID 134803232
5-[1-(2-fluorobenzoyl)piperidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134800810
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
5-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-3-methyl-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134803865
5-[1-(3-methoxybenzoyl)pyrrolidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134801639
CID 134801572
CID 134801572
5-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-methyl-1-phenyl-4-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134803369
4-cyclopropyl-3-methyl-1-phenyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134801245
CID 134801744
CID 134801744

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzoylpiperidin-3-yl)-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 5-(1-benzoylpiperidin-3-yl)-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 134800702) is 5-(1-benzoylpiperidin-3-yl)-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 5-(1-benzoylpiperidin-3-yl)-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 5-(1-benzoylpiperidin-3-yl)-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one is Cc1nn(-c2ccccc2)c2c1C(C1CC1)N(C1CCCN(C(=O)c3ccccc3)C1)C2=O.
What is the InChIKey of 5-(1-benzoylpiperidin-3-yl)-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is WEQQLIXADMZOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-18-23-24(19-14-15-19)30(27(33)25(23)31(28-18)21-11-6-3-7-12-21)22-13-8-16-29(17-22)26(32)20-9-4-2-5-10-20/h2-7,9-12,19,22,24H,8,13-17H2,1H3.
What are the key properties of 5-(1-benzoylpiperidin-3-yl)-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
5-(1-benzoylpiperidin-3-yl)-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 440.55 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzoylpiperidin-3-yl)-4-cyclopropyl-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 134800702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).