N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)pyrrolidine-1-carboxamide

C25H31N5O2 — CID 134802811

IUPACN-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1nn(-c2ccccc2)c2c1C(C1CC1)N(C1CCN(C(=O)NC3CCCC3)C1)C2=O
InChIInChI=1S/C25H31N5O2/c1-16-21-22(17-11-12-17)29(24(31)23(21)30(27-16)19-9-3-2-4-10-19)20-13-14-28(15-20)25(32)26-18-7-5-6-8-18/h2-4,9-10,17-18,20,22H,5-8,11-15H2,1H3,(H,26,32)
InChIKeyPHKOCOKZHFWUKT-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.81
Rot. Bonds4

About N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)pyrrolidine-1-carboxamide

N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 134802811) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID134802811
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1nn(-c2ccccc2)c2c1C(C1CC1)N(C1CCN(C(=O)NC3CCCC3)C1)C2=O
InChIInChI=1S/C25H31N5O2/c1-16-21-22(17-11-12-17)29(24(31)23(21)30(27-16)19-9-3-2-4-10-19)20-13-14-28(15-20)25(32)26-18-7-5-6-8-18/h2-4,9-10,17-18,20,22H,5-8,11-15H2,1H3,(H,26,32)
InChIKeyPHKOCOKZHFWUKT-UHFFFAOYSA-N
XLogP3.81
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)pyrrolidine-1-carboxamide (CID 134802811) is N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)pyrrolidine-1-carboxamide is Cc1nn(-c2ccccc2)c2c1C(C1CC1)N(C1CCN(C(=O)NC3CCCC3)C1)C2=O.
What is the InChIKey of N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is PHKOCOKZHFWUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-16-21-22(17-11-12-17)29(24(31)23(21)30(27-16)19-9-3-2-4-10-19)20-13-14-28(15-20)25(32)26-18-7-5-6-8-18/h2-4,9-10,17-18,20,22H,5-8,11-15H2,1H3,(H,26,32).
What are the key properties of N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)pyrrolidine-1-carboxamide?
N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(4-cyclopropyl-3-methyl-6-oxo-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 134802811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).