4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one

C27H27FN4O2 — CID 134801283

IUPAC4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(-c2ccccc2)c2c1C(C1CC1)N(C1CCN(C(=O)Cc3ccc(F)cc3)C1)C2=O
InChIInChI=1S/C27H27FN4O2/c1-17-24-25(19-9-10-19)31(27(34)26(24)32(29-17)21-5-3-2-4-6-21)22-13-14-30(16-22)23(33)15-18-7-11-20(28)12-8-18/h2-8,11-12,19,22,25H,9-10,13-16H2,1H3
InChIKeySMMOPYLPAVZHGV-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.07
Rot. Bonds5

About 4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one

4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 134801283) has the molecular formula C27H27FN4O2 and a molecular weight of 458.54 g/mol. Its IUPAC name is 4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID134801283
Molecular FormulaC27H27FN4O2
Molecular Weight458.54 g/mol
Exact Mass458.21
IUPAC Name4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(-c2ccccc2)c2c1C(C1CC1)N(C1CCN(C(=O)Cc3ccc(F)cc3)C1)C2=O
InChIInChI=1S/C27H27FN4O2/c1-17-24-25(19-9-10-19)31(27(34)26(24)32(29-17)21-5-3-2-4-6-21)22-13-14-30(16-22)23(33)15-18-7-11-20(28)12-8-18/h2-8,11-12,19,22,25H,9-10,13-16H2,1H3
InChIKeySMMOPYLPAVZHGV-UHFFFAOYSA-N
XLogP4.07
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 134801283) is 4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one is Cc1nn(-c2ccccc2)c2c1C(C1CC1)N(C1CCN(C(=O)Cc3ccc(F)cc3)C1)C2=O.
What is the InChIKey of 4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is SMMOPYLPAVZHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2/c1-17-24-25(19-9-10-19)31(27(34)26(24)32(29-17)21-5-3-2-4-6-21)22-13-14-30(16-22)23(33)15-18-7-11-20(28)12-8-18/h2-8,11-12,19,22,25H,9-10,13-16H2,1H3.
What are the key properties of 4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 458.54 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-3-methyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 134801283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).