(2R)-2-[5-[5-chloro-2-(cyclopentylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-2-hydroxy-1-(6-methyl-2-pyridinyl)ethyl]propanamide

C28H31ClN6O3 — CID 175637788

IUPAC(2R)-2-[5-[5-chloro-2-(cyclopentylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-2-hydroxy-1-(6-methyl-2-pyridinyl)ethyl]propanamide
SMILESCc1cccc([C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(-c4nc(NC5CCCC5)ncc4Cl)cc3C2=O)n1
InChIInChI=1S/C28H31ClN6O3/c1-16-6-5-9-23(31-16)24(15-36)33-26(37)17(2)35-14-19-11-10-18(12-21(19)27(35)38)25-22(29)13-30-28(34-25)32-20-7-3-4-8-20/h5-6,9-13,17,20,24,36H,3-4,7-8,14-15H2,1-2H3,(H,33,37)(H,30,32,34)/t17-,24-/m1/s1
InChIKeyDNUUJEIVOTXAMN-MZNJEOGPSA-N
MW535.05 g/mol
LogP4.05
Rot. Bonds8

About (2R)-2-[5-[5-chloro-2-(cyclopentylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-2-hydroxy-1-(6-methyl-2-pyridinyl)ethyl]propanamide

(2R)-2-[5-[5-chloro-2-(cyclopentylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-2-hydroxy-1-(6-methyl-2-pyridinyl)ethyl]propanamide (PubChem CID 175637788) has the molecular formula C28H31ClN6O3 and a molecular weight of 535.05 g/mol. Its IUPAC name is (2R)-2-[5-[5-chloro-2-(cyclopentylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-2-hydroxy-1-(6-methyl-2-pyridinyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[5-[5-chloro-2-(cyclopentylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-2-hydroxy-1-(6-methyl-2-pyridinyl)ethyl]propanamide
PubChem CID175637788
Molecular FormulaC28H31ClN6O3
Molecular Weight535.05 g/mol
Exact Mass534.21
IUPAC Name(2R)-2-[5-[5-chloro-2-(cyclopentylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-2-hydroxy-1-(6-methyl-2-pyridinyl)ethyl]propanamide
SMILESCc1cccc([C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(-c4nc(NC5CCCC5)ncc4Cl)cc3C2=O)n1
InChIInChI=1S/C28H31ClN6O3/c1-16-6-5-9-23(31-16)24(15-36)33-26(37)17(2)35-14-19-11-10-18(12-21(19)27(35)38)25-22(29)13-30-28(34-25)32-20-7-3-4-8-20/h5-6,9-13,17,20,24,36H,3-4,7-8,14-15H2,1-2H3,(H,33,37)(H,30,32,34)/t17-,24-/m1/s1
InChIKeyDNUUJEIVOTXAMN-MZNJEOGPSA-N
XLogP4.05
TPSA120.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.05
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[5-[5-chloro-2-(cyclopentylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-2-hydroxy-1-(6-methyl-2-pyridinyl)ethyl]propanamide 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 (2R)-2-[5-[5-chloro-2-(cyclopentylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-2-hydroxy-1-(6-methyl-2-pyridinyl)ethyl]propanamide?
The IUPAC name of (2R)-2-[5-[5-chloro-2-(cyclopentylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-2-hydroxy-1-(6-methyl-2-pyridinyl)ethyl]propanamide (CID 175637788) is (2R)-2-[5-[5-chloro-2-(cyclopentylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-2-hydroxy-1-(6-methyl-2-pyridinyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-[5-[5-chloro-2-(cyclopentylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-2-hydroxy-1-(6-methyl-2-pyridinyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-[5-[5-chloro-2-(cyclopentylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-2-hydroxy-1-(6-methyl-2-pyridinyl)ethyl]propanamide is Cc1cccc([C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(-c4nc(NC5CCCC5)ncc4Cl)cc3C2=O)n1.
What is the InChIKey of (2R)-2-[5-[5-chloro-2-(cyclopentylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-2-hydroxy-1-(6-methyl-2-pyridinyl)ethyl]propanamide?
The InChIKey is DNUUJEIVOTXAMN-MZNJEOGPSA-N. The full InChI is InChI=1S/C28H31ClN6O3/c1-16-6-5-9-23(31-16)24(15-36)33-26(37)17(2)35-14-19-11-10-18(12-21(19)27(35)38)25-22(29)13-30-28(34-25)32-20-7-3-4-8-20/h5-6,9-13,17,20,24,36H,3-4,7-8,14-15H2,1-2H3,(H,33,37)(H,30,32,34)/t17-,24-/m1/s1.
What are the key properties of (2R)-2-[5-[5-chloro-2-(cyclopentylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-2-hydroxy-1-(6-methyl-2-pyridinyl)ethyl]propanamide?
(2R)-2-[5-[5-chloro-2-(cyclopentylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-2-hydroxy-1-(6-methyl-2-pyridinyl)ethyl]propanamide has a molecular weight of 535.05 g/mol, XLogP of 4.05, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-[5-chloro-2-(cyclopentylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-2-hydroxy-1-(6-methyl-2-pyridinyl)ethyl]propanamide is sourced from PubChem (CID 175637788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).