(2S)-1-[(2S,4S)-4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile

C23H25ClN4O3 — CID 46916345

IUPAC(2S)-1-[(2S,4S)-4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)C(=O)N1
InChIInChI=1S/C23H25ClN4O3/c24-18-5-3-15(4-6-18)16-7-10-27(11-8-16)21(29)13-17-12-20(26-22(17)30)23(31)28-9-1-2-19(28)14-25/h3-7,17,19-20H,1-2,8-13H2,(H,26,30)/t17-,19-,20-/m0/s1
InChIKeyGTLLDRLWHPCRMB-IHPCNDPISA-N
MW440.93 g/mol
LogP2.37
Rot. Bonds4

About (2S)-1-[(2S,4S)-4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile

(2S)-1-[(2S,4S)-4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile (PubChem CID 46916345) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is (2S)-1-[(2S,4S)-4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[(2S,4S)-4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
PubChem CID46916345
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name(2S)-1-[(2S,4S)-4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)C(=O)N1
InChIInChI=1S/C23H25ClN4O3/c24-18-5-3-15(4-6-18)16-7-10-27(11-8-16)21(29)13-17-12-20(26-22(17)30)23(31)28-9-1-2-19(28)14-25/h3-7,17,19-20H,1-2,8-13H2,(H,26,30)/t17-,19-,20-/m0/s1
InChIKeyGTLLDRLWHPCRMB-IHPCNDPISA-N
XLogP2.37
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(2S,4S)-4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

(2S,4S)-1-{(2S,4S)-4-[2-(5-Chloro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl}-4-fluoropyrrolidine-2-carbonitrile
CID 46916435
(2s)-1-({(2s,4s)-4-[2-(5-Chloro-1,3-dihydro-2h-isoindol-2-yl)-2-oxoethyl]-5-oxopyrrolidin-2-yl}carbonyl)pyrrolidine-2-carbonitrile
CID 46938704
N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 3429042
Me-Ala-Chg-Pro-NHBn(4-Cl)
CID 57522926
2-(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 70685558
(2S)-1-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]pyrrolidine-2-carbonitrile
CID 72697209
1-sec-butyl-N-[2-(4-chlorophenyl)ethyl]-5-oxoprolinamide
CID 3663592
(2S)-N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-methyl-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 76072702
Proline scaffold, 1
CID 42618099
Proline scaffold, 2
CID 42618100
Proline scaffold, 22
CID 42618120
N-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-5-oxoprolinamide
CID 3241745

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S,4S)-4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[(2S,4S)-4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile (CID 46916345) is (2S)-1-[(2S,4S)-4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[(2S,4S)-4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[(2S,4S)-4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)C(=O)N1.
What is the InChIKey of (2S)-1-[(2S,4S)-4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
The InChIKey is GTLLDRLWHPCRMB-IHPCNDPISA-N. The full InChI is InChI=1S/C23H25ClN4O3/c24-18-5-3-15(4-6-18)16-7-10-27(11-8-16)21(29)13-17-12-20(26-22(17)30)23(31)28-9-1-2-19(28)14-25/h3-7,17,19-20H,1-2,8-13H2,(H,26,30)/t17-,19-,20-/m0/s1.
What are the key properties of (2S)-1-[(2S,4S)-4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
(2S)-1-[(2S,4S)-4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile has a molecular weight of 440.93 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S,4S)-4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 46916345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).