2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-[3-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidine-5-carboxamide

C17H10ClF3N6OS — CID 90937410

IUPAC2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-[3-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidine-5-carboxamide
SMILESCc1nc(-c2nc(Cl)cs2)ncc1C(=O)Nn1cc(C(F)(F)F)c2ncccc21
InChIInChI=1S/C17H10ClF3N6OS/c1-8-9(5-23-14(24-8)16-25-12(18)7-29-16)15(28)26-27-6-10(17(19,20)21)13-11(27)3-2-4-22-13/h2-7H,1H3,(H,26,28)
InChIKeyDWYQQBNYARGPEL-UHFFFAOYSA-N
MW438.82 g/mol
LogP4.31
Rot. Bonds3

About 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-[3-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidine-5-carboxamide

2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-[3-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidine-5-carboxamide (PubChem CID 90937410) has the molecular formula C17H10ClF3N6OS and a molecular weight of 438.82 g/mol. Its IUPAC name is 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-[3-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-[3-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidine-5-carboxamide
PubChem CID90937410
Molecular FormulaC17H10ClF3N6OS
Molecular Weight438.82 g/mol
Exact Mass438.03
IUPAC Name2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-[3-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidine-5-carboxamide
SMILESCc1nc(-c2nc(Cl)cs2)ncc1C(=O)Nn1cc(C(F)(F)F)c2ncccc21
InChIInChI=1S/C17H10ClF3N6OS/c1-8-9(5-23-14(24-8)16-25-12(18)7-29-16)15(28)26-27-6-10(17(19,20)21)13-11(27)3-2-4-22-13/h2-7H,1H3,(H,26,28)
InChIKeyDWYQQBNYARGPEL-UHFFFAOYSA-N
XLogP4.31
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.82
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-[3-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidine-5-carboxamide 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 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-[3-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-[3-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidine-5-carboxamide (CID 90937410) is 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-[3-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-[3-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-[3-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidine-5-carboxamide is Cc1nc(-c2nc(Cl)cs2)ncc1C(=O)Nn1cc(C(F)(F)F)c2ncccc21.
What is the InChIKey of 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-[3-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is DWYQQBNYARGPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N6OS/c1-8-9(5-23-14(24-8)16-25-12(18)7-29-16)15(28)26-27-6-10(17(19,20)21)13-11(27)3-2-4-22-13/h2-7H,1H3,(H,26,28).
What are the key properties of 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-[3-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidine-5-carboxamide?
2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-[3-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 438.82 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-thiazol-2-yl)-4-methyl-N-[3-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 90937410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).