(3S)-N-[[5-[(5-chloro-4-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C24H27ClN4O2 — CID 170575996

IUPAC(3S)-N-[[5-[(5-chloro-4-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1ccc(NC2Cc3ccc(Cl)c(C4CC4)c3C2)cn1)C(=O)[C@@H]1CNC(=O)C1
InChIInChI=1S/C24H27ClN4O2/c1-29(24(31)16-9-22(30)27-11-16)13-18-6-5-17(12-26-18)28-19-8-15-4-7-21(25)23(14-2-3-14)20(15)10-19/h4-7,12,14,16,19,28H,2-3,8-11,13H2,1H3,(H,27,30)/t16-,19?/m0/s1
InChIKeyYOEQOLOXVXHQHV-UCFFOFKASA-N
MW438.96 g/mol
LogP3.29
Rot. Bonds6

About (3S)-N-[[5-[(5-chloro-4-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-[[5-[(5-chloro-4-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 170575996) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is (3S)-N-[[5-[(5-chloro-4-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[5-[(5-chloro-4-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID170575996
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name(3S)-N-[[5-[(5-chloro-4-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1ccc(NC2Cc3ccc(Cl)c(C4CC4)c3C2)cn1)C(=O)[C@@H]1CNC(=O)C1
InChIInChI=1S/C24H27ClN4O2/c1-29(24(31)16-9-22(30)27-11-16)13-18-6-5-17(12-26-18)28-19-8-15-4-7-21(25)23(14-2-3-14)20(15)10-19/h4-7,12,14,16,19,28H,2-3,8-11,13H2,1H3,(H,27,30)/t16-,19?/m0/s1
InChIKeyYOEQOLOXVXHQHV-UCFFOFKASA-N
XLogP3.29
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[[5-[(5-chloro-4-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide 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 (3S)-N-[[5-[(5-chloro-4-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[[5-[(5-chloro-4-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 170575996) is (3S)-N-[[5-[(5-chloro-4-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[5-[(5-chloro-4-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[5-[(5-chloro-4-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CN(Cc1ccc(NC2Cc3ccc(Cl)c(C4CC4)c3C2)cn1)C(=O)[C@@H]1CNC(=O)C1.
What is the InChIKey of (3S)-N-[[5-[(5-chloro-4-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YOEQOLOXVXHQHV-UCFFOFKASA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-29(24(31)16-9-22(30)27-11-16)13-18-6-5-17(12-26-18)28-19-8-15-4-7-21(25)23(14-2-3-14)20(15)10-19/h4-7,12,14,16,19,28H,2-3,8-11,13H2,1H3,(H,27,30)/t16-,19?/m0/s1.
What are the key properties of (3S)-N-[[5-[(5-chloro-4-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[[5-[(5-chloro-4-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 438.96 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[5-[(5-chloro-4-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 170575996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).