3-(4-chloro-3-methoxyphenyl)-8-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione

C18H12Cl2N4O3S — CID 168879774

IUPAC3-(4-chloro-3-methoxyphenyl)-8-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1cc(-n2c(=O)nc3n(Cc4cnc(Cl)s4)cccc-3c2=O)ccc1Cl
InChIInChI=1S/C18H12Cl2N4O3S/c1-27-14-7-10(4-5-13(14)19)24-16(25)12-3-2-6-23(15(12)22-18(24)26)9-11-8-21-17(20)28-11/h2-8H,9H2,1H3
InChIKeyAWSDIYCLLFJQSL-UHFFFAOYSA-N
MW435.29 g/mol
LogP3.32
Rot. Bonds4

About 3-(4-chloro-3-methoxyphenyl)-8-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione

3-(4-chloro-3-methoxyphenyl)-8-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 168879774) has the molecular formula C18H12Cl2N4O3S and a molecular weight of 435.29 g/mol. Its IUPAC name is 3-(4-chloro-3-methoxyphenyl)-8-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chloro-3-methoxyphenyl)-8-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID168879774
Molecular FormulaC18H12Cl2N4O3S
Molecular Weight435.29 g/mol
Exact Mass434.00
IUPAC Name3-(4-chloro-3-methoxyphenyl)-8-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1cc(-n2c(=O)nc3n(Cc4cnc(Cl)s4)cccc-3c2=O)ccc1Cl
InChIInChI=1S/C18H12Cl2N4O3S/c1-27-14-7-10(4-5-13(14)19)24-16(25)12-3-2-6-23(15(12)22-18(24)26)9-11-8-21-17(20)28-11/h2-8H,9H2,1H3
InChIKeyAWSDIYCLLFJQSL-UHFFFAOYSA-N
XLogP3.32
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(4-chloro-3-methoxyphenyl)-8-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione 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 3-(4-chloro-3-methoxyphenyl)-8-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(4-chloro-3-methoxyphenyl)-8-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 168879774) is 3-(4-chloro-3-methoxyphenyl)-8-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-chloro-3-methoxyphenyl)-8-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-chloro-3-methoxyphenyl)-8-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is COc1cc(-n2c(=O)nc3n(Cc4cnc(Cl)s4)cccc-3c2=O)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methoxyphenyl)-8-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is AWSDIYCLLFJQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O3S/c1-27-14-7-10(4-5-13(14)19)24-16(25)12-3-2-6-23(15(12)22-18(24)26)9-11-8-21-17(20)28-11/h2-8H,9H2,1H3.
What are the key properties of 3-(4-chloro-3-methoxyphenyl)-8-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
3-(4-chloro-3-methoxyphenyl)-8-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 435.29 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methoxyphenyl)-8-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 168879774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).