5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide

C25H21F3N8OS — CID 168885814

IUPAC5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CCCC(n2c(-c3ccccc3F)nc3cnc(-n4ccnn4)cc32)C1)c1ncc(C(F)F)s1
InChIInChI=1S/C25H21F3N8OS/c26-17-7-2-1-6-16(17)23-33-18-12-29-21(35-9-8-31-34-35)11-19(18)36(23)15-5-3-4-14(10-15)32-24(37)25-30-13-20(38-25)22(27)28/h1-2,6-9,11-15,22H,3-5,10H2,(H,32,37)
InChIKeyALDJFCKTRZAQLU-UHFFFAOYSA-N
MW538.56 g/mol
LogP5.13
Rot. Bonds6

About 5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide

5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 168885814) has the molecular formula C25H21F3N8OS and a molecular weight of 538.56 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
PubChem CID168885814
Molecular FormulaC25H21F3N8OS
Molecular Weight538.56 g/mol
Exact Mass538.15
IUPAC Name5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CCCC(n2c(-c3ccccc3F)nc3cnc(-n4ccnn4)cc32)C1)c1ncc(C(F)F)s1
InChIInChI=1S/C25H21F3N8OS/c26-17-7-2-1-6-16(17)23-33-18-12-29-21(35-9-8-31-34-35)11-19(18)36(23)15-5-3-4-14(10-15)32-24(37)25-30-13-20(38-25)22(27)28/h1-2,6-9,11-15,22H,3-5,10H2,(H,32,37)
InChIKeyALDJFCKTRZAQLU-UHFFFAOYSA-N
XLogP5.13
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.56
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-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 5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide (CID 168885814) is 5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is O=C(NC1CCCC(n2c(-c3ccccc3F)nc3cnc(-n4ccnn4)cc32)C1)c1ncc(C(F)F)s1.
What is the InChIKey of 5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
The InChIKey is ALDJFCKTRZAQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N8OS/c26-17-7-2-1-6-16(17)23-33-18-12-29-21(35-9-8-31-34-35)11-19(18)36(23)15-5-3-4-14(10-15)32-24(37)25-30-13-20(38-25)22(27)28/h1-2,6-9,11-15,22H,3-5,10H2,(H,32,37).
What are the key properties of 5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide?
5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 538.56 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168885814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).