4-cyclopropyl-3-methyl-1-phenyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one

C25H28N4OS — CID 134801245

IUPAC4-cyclopropyl-3-methyl-1-phenyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(-c2ccccc2)c2c1C(C1CC1)N(C1CCN(Cc3cccs3)CC1)C2=O
InChIInChI=1S/C25H28N4OS/c1-17-22-23(18-9-10-18)28(19-11-13-27(14-12-19)16-21-8-5-15-31-21)25(30)24(22)29(26-17)20-6-3-2-4-7-20/h2-8,15,18-19,23H,9-14,16H2,1H3
InChIKeyZTENJCZIVZZNSE-UHFFFAOYSA-N
MW432.59 g/mol
LogP4.81
Rot. Bonds5

About 4-cyclopropyl-3-methyl-1-phenyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one

4-cyclopropyl-3-methyl-1-phenyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 134801245) has the molecular formula C25H28N4OS and a molecular weight of 432.59 g/mol. Its IUPAC name is 4-cyclopropyl-3-methyl-1-phenyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-cyclopropyl-3-methyl-1-phenyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID134801245
Molecular FormulaC25H28N4OS
Molecular Weight432.59 g/mol
Exact Mass432.20
IUPAC Name4-cyclopropyl-3-methyl-1-phenyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(-c2ccccc2)c2c1C(C1CC1)N(C1CCN(Cc3cccs3)CC1)C2=O
InChIInChI=1S/C25H28N4OS/c1-17-22-23(18-9-10-18)28(19-11-13-27(14-12-19)16-21-8-5-15-31-21)25(30)24(22)29(26-17)20-6-3-2-4-7-20/h2-8,15,18-19,23H,9-14,16H2,1H3
InChIKeyZTENJCZIVZZNSE-UHFFFAOYSA-N
XLogP4.81
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-methyl-1-phenyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-cyclopropyl-3-methyl-1-phenyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 134801245) is 4-cyclopropyl-3-methyl-1-phenyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-cyclopropyl-3-methyl-1-phenyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-cyclopropyl-3-methyl-1-phenyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one is Cc1nn(-c2ccccc2)c2c1C(C1CC1)N(C1CCN(Cc3cccs3)CC1)C2=O.
What is the InChIKey of 4-cyclopropyl-3-methyl-1-phenyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is ZTENJCZIVZZNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4OS/c1-17-22-23(18-9-10-18)28(19-11-13-27(14-12-19)16-21-8-5-15-31-21)25(30)24(22)29(26-17)20-6-3-2-4-7-20/h2-8,15,18-19,23H,9-14,16H2,1H3.
What are the key properties of 4-cyclopropyl-3-methyl-1-phenyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
4-cyclopropyl-3-methyl-1-phenyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 432.59 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-methyl-1-phenyl-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 134801245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).