1-(2-methylpropyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide

C23H23F3N6OS — CID 46842030

IUPAC1-(2-methylpropyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(C)Cn1cnc2cnc(C(=O)NC(C)c3cnc(Nc4ccc(C(F)(F)F)cc4)s3)cc21
InChIInChI=1S/C23H23F3N6OS/c1-13(2)11-32-12-29-18-9-27-17(8-19(18)32)21(33)30-14(3)20-10-28-22(34-20)31-16-6-4-15(5-7-16)23(24,25)26/h4-10,12-14H,11H2,1-3H3,(H,28,31)(H,30,33)
InChIKeyWKKRVRYKYXKKQX-UHFFFAOYSA-N
MW488.54 g/mol
LogP5.80
Rot. Bonds7

About 1-(2-methylpropyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide

1-(2-methylpropyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 46842030) has the molecular formula C23H23F3N6OS and a molecular weight of 488.54 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID46842030
Molecular FormulaC23H23F3N6OS
Molecular Weight488.54 g/mol
Exact Mass488.16
IUPAC Name1-(2-methylpropyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(C)Cn1cnc2cnc(C(=O)NC(C)c3cnc(Nc4ccc(C(F)(F)F)cc4)s3)cc21
InChIInChI=1S/C23H23F3N6OS/c1-13(2)11-32-12-29-18-9-27-17(8-19(18)32)21(33)30-14(3)20-10-28-22(34-20)31-16-6-4-15(5-7-16)23(24,25)26/h4-10,12-14H,11H2,1-3H3,(H,28,31)(H,30,33)
InChIKeyWKKRVRYKYXKKQX-UHFFFAOYSA-N
XLogP5.80
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.54
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(2-methylpropyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-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 1-(2-methylpropyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide (CID 46842030) is 1-(2-methylpropyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide is CC(C)Cn1cnc2cnc(C(=O)NC(C)c3cnc(Nc4ccc(C(F)(F)F)cc4)s3)cc21.
What is the InChIKey of 1-(2-methylpropyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is WKKRVRYKYXKKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6OS/c1-13(2)11-32-12-29-18-9-27-17(8-19(18)32)21(33)30-14(3)20-10-28-22(34-20)31-16-6-4-15(5-7-16)23(24,25)26/h4-10,12-14H,11H2,1-3H3,(H,28,31)(H,30,33).
What are the key properties of 1-(2-methylpropyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide?
1-(2-methylpropyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 5.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 46842030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).