(4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one

C20H27ClN4O — CID 99927619

IUPAC(4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
SMILESCN(Cc1nn(C)c2cccc(Cl)c12)C[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C20H27ClN4O/c1-23(11-14-10-19(26)25(12-14)15-6-3-4-7-15)13-17-20-16(21)8-5-9-18(20)24(2)22-17/h5,8-9,14-15H,3-4,6-7,10-13H2,1-2H3/t14-/m1/s1
InChIKeyKSPZPNSBRQSATR-CQSZACIVSA-N
MW374.92 g/mol
LogP3.45
Rot. Bonds5

About (4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one

(4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one (PubChem CID 99927619) has the molecular formula C20H27ClN4O and a molecular weight of 374.92 g/mol. Its IUPAC name is (4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
PubChem CID99927619
Molecular FormulaC20H27ClN4O
Molecular Weight374.92 g/mol
Exact Mass374.19
IUPAC Name(4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
SMILESCN(Cc1nn(C)c2cccc(Cl)c12)C[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C20H27ClN4O/c1-23(11-14-10-19(26)25(12-14)15-6-3-4-7-15)13-17-20-16(21)8-5-9-18(20)24(2)22-17/h5,8-9,14-15H,3-4,6-7,10-13H2,1-2H3/t14-/m1/s1
InChIKeyKSPZPNSBRQSATR-CQSZACIVSA-N
XLogP3.45
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one (CID 99927619) is (4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one is CN(Cc1nn(C)c2cccc(Cl)c12)C[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
The InChIKey is KSPZPNSBRQSATR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H27ClN4O/c1-23(11-14-10-19(26)25(12-14)15-6-3-4-7-15)13-17-20-16(21)8-5-9-18(20)24(2)22-17/h5,8-9,14-15H,3-4,6-7,10-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one?
(4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one has a molecular weight of 374.92 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(4-chloro-1-methylindazol-3-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one is sourced from PubChem (CID 99927619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).