3-chloro-1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one

C23H21Cl2N5O2S — CID 57405325

IUPAC3-chloro-1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one
SMILESCc1nc(COc2cc(C)n(-c3cc(-c4ccnc(C(C)C)n4)ncc3Cl)c(=O)c2Cl)cs1
InChIInChI=1S/C23H21Cl2N5O2S/c1-12(2)22-26-6-5-17(29-22)18-8-19(16(24)9-27-18)30-13(3)7-20(21(25)23(30)31)32-10-15-11-33-14(4)28-15/h5-9,11-12H,10H2,1-4H3
InChIKeyOASUQHZAFQUYNM-UHFFFAOYSA-N
MW502.43 g/mol
LogP5.77
Rot. Bonds6

About 3-chloro-1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one

3-chloro-1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one (PubChem CID 57405325) has the molecular formula C23H21Cl2N5O2S and a molecular weight of 502.43 g/mol. Its IUPAC name is 3-chloro-1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one
PubChem CID57405325
Molecular FormulaC23H21Cl2N5O2S
Molecular Weight502.43 g/mol
Exact Mass501.08
IUPAC Name3-chloro-1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one
SMILESCc1nc(COc2cc(C)n(-c3cc(-c4ccnc(C(C)C)n4)ncc3Cl)c(=O)c2Cl)cs1
InChIInChI=1S/C23H21Cl2N5O2S/c1-12(2)22-26-6-5-17(29-22)18-8-19(16(24)9-27-18)30-13(3)7-20(21(25)23(30)31)32-10-15-11-33-14(4)28-15/h5-9,11-12H,10H2,1-4H3
InChIKeyOASUQHZAFQUYNM-UHFFFAOYSA-N
XLogP5.77
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.43
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-chloro-1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-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

Related Compounds

5-Chloro-3-[2-chloro-5-[5-fluoro-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]phenyl]-2-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrimidin-4-one
CID 89598898
3-[2-Chloro-5-[5-fluoro-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]phenyl]-2,5-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrimidin-4-one
CID 89604390
5-Chloro-3-[3-[5-fluoro-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]phenyl]-2-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrimidin-4-one
CID 89604396
3-Chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-1,3-thiazol-4-yl]-6-methylpyridin-2-one
CID 165398344
3-Chloro-1-[5-chloro-2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one
CID 168985014
US20250051309, Example 1.19
CID 175681137
3-Bromo-1-[2-(2-tert-butylpyrimidin-4-yl)-5-methyl-4-pyridinyl]-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one
CID 57404998
1-[2-(2-Tert-butylpyrimidin-4-yl)-5-methyl-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one
CID 57405159
1-[2-(2-Tert-butylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one
CID 57405160
1-[2-(2-Tert-butylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3,6-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one
CID 57405161
1-[2-(2-Tert-butylpyrimidin-4-yl)-4-pyridinyl]-3-chloro-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one
CID 57405162
1-[2-(2-Tert-butyl-5-methylpyrimidin-4-yl)-5-chloro-4-pyridinyl]-3,6-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one
CID 57405163

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one?
The IUPAC name of 3-chloro-1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one (CID 57405325) is 3-chloro-1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one.
What is the SMILES notation for 3-chloro-1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one?
The canonical SMILES for 3-chloro-1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one is Cc1nc(COc2cc(C)n(-c3cc(-c4ccnc(C(C)C)n4)ncc3Cl)c(=O)c2Cl)cs1.
What is the InChIKey of 3-chloro-1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one?
The InChIKey is OASUQHZAFQUYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O2S/c1-12(2)22-26-6-5-17(29-22)18-8-19(16(24)9-27-18)30-13(3)7-20(21(25)23(30)31)32-10-15-11-33-14(4)28-15/h5-9,11-12H,10H2,1-4H3.
What are the key properties of 3-chloro-1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one?
3-chloro-1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one has a molecular weight of 502.43 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridin-2-one is sourced from PubChem (CID 57405325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).