6-[2-chloro-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3-(2-oxopiperidin-4-yl)-1H-thieno[3,2-d]pyrimidine-2,4-dione

C24H19ClN6O3S — CID 176878758

IUPAC6-[2-chloro-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3-(2-oxopiperidin-4-yl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1cc(-c2cccc(Cl)c2-c2cc3[nH]c(=O)n(C4CCNC(=O)C4)c(=O)c3s2)cn2ncnc12
InChIInChI=1S/C24H19ClN6O3S/c1-12-7-13(10-30-22(12)27-11-28-30)15-3-2-4-16(25)20(15)18-9-17-21(35-18)23(33)31(24(34)29-17)14-5-6-26-19(32)8-14/h2-4,7,9-11,14H,5-6,8H2,1H3,(H,26,32)(H,29,34)
InChIKeyXYZMZJOGCBLSFQ-UHFFFAOYSA-N
MW506.98 g/mol
LogP3.54
Rot. Bonds3

About 6-[2-chloro-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3-(2-oxopiperidin-4-yl)-1H-thieno[3,2-d]pyrimidine-2,4-dione

6-[2-chloro-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3-(2-oxopiperidin-4-yl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 176878758) has the molecular formula C24H19ClN6O3S and a molecular weight of 506.98 g/mol. Its IUPAC name is 6-[2-chloro-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3-(2-oxopiperidin-4-yl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-chloro-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3-(2-oxopiperidin-4-yl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID176878758
Molecular FormulaC24H19ClN6O3S
Molecular Weight506.98 g/mol
Exact Mass506.09
IUPAC Name6-[2-chloro-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3-(2-oxopiperidin-4-yl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1cc(-c2cccc(Cl)c2-c2cc3[nH]c(=O)n(C4CCNC(=O)C4)c(=O)c3s2)cn2ncnc12
InChIInChI=1S/C24H19ClN6O3S/c1-12-7-13(10-30-22(12)27-11-28-30)15-3-2-4-16(25)20(15)18-9-17-21(35-18)23(33)31(24(34)29-17)14-5-6-26-19(32)8-14/h2-4,7,9-11,14H,5-6,8H2,1H3,(H,26,32)(H,29,34)
InChIKeyXYZMZJOGCBLSFQ-UHFFFAOYSA-N
XLogP3.54
TPSA114.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.98
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[2-chloro-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3-(2-oxopiperidin-4-yl)-1H-thieno[3,2-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 6-[2-chloro-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3-(2-oxopiperidin-4-yl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[2-chloro-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3-(2-oxopiperidin-4-yl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 176878758) is 6-[2-chloro-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3-(2-oxopiperidin-4-yl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-chloro-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3-(2-oxopiperidin-4-yl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-chloro-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3-(2-oxopiperidin-4-yl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is Cc1cc(-c2cccc(Cl)c2-c2cc3[nH]c(=O)n(C4CCNC(=O)C4)c(=O)c3s2)cn2ncnc12.
What is the InChIKey of 6-[2-chloro-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3-(2-oxopiperidin-4-yl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is XYZMZJOGCBLSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O3S/c1-12-7-13(10-30-22(12)27-11-28-30)15-3-2-4-16(25)20(15)18-9-17-21(35-18)23(33)31(24(34)29-17)14-5-6-26-19(32)8-14/h2-4,7,9-11,14H,5-6,8H2,1H3,(H,26,32)(H,29,34).
What are the key properties of 6-[2-chloro-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3-(2-oxopiperidin-4-yl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
6-[2-chloro-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3-(2-oxopiperidin-4-yl)-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 506.98 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3-(2-oxopiperidin-4-yl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 176878758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).