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

C25H25FN4O2 — CID 134801048

IUPAC5-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(-c2ccccc2)c2c1C(C)N(C1CCN(C(=O)c3ccc(F)cc3)CC1)C2=O
InChIInChI=1S/C25H25FN4O2/c1-16-22-17(2)29(25(32)23(22)30(27-16)21-6-4-3-5-7-21)20-12-14-28(15-13-20)24(31)18-8-10-19(26)11-9-18/h3-11,17,20H,12-15H2,1-2H3
InChIKeyCDCIDHDTQAFBLQ-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.14
Rot. Bonds3

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

5-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 134801048) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 5-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name5-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID134801048
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name5-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(-c2ccccc2)c2c1C(C)N(C1CCN(C(=O)c3ccc(F)cc3)CC1)C2=O
InChIInChI=1S/C25H25FN4O2/c1-16-22-17(2)29(25(32)23(22)30(27-16)21-6-4-3-5-7-21)20-12-14-28(15-13-20)24(31)18-8-10-19(26)11-9-18/h3-11,17,20H,12-15H2,1-2H3
InChIKeyCDCIDHDTQAFBLQ-UHFFFAOYSA-N
XLogP4.14
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 5-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 134801048) is 5-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 5-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 5-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one is Cc1nn(-c2ccccc2)c2c1C(C)N(C1CCN(C(=O)c3ccc(F)cc3)CC1)C2=O.
What is the InChIKey of 5-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is CDCIDHDTQAFBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-16-22-17(2)29(25(32)23(22)30(27-16)21-6-4-3-5-7-21)20-12-14-28(15-13-20)24(31)18-8-10-19(26)11-9-18/h3-11,17,20H,12-15H2,1-2H3.
What are the key properties of 5-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
5-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 432.50 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorobenzoyl)piperidin-4-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 134801048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).