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

C25H21F3N8O2S — CID 168885402

IUPAC5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CC(O)CC(n2c(-c3ccccc3F)nc3cnc(-n4nccn4)cc32)C1)c1ncc(C(F)F)s1
InChIInChI=1S/C25H21F3N8O2S/c26-17-4-2-1-3-16(17)23-34-18-11-29-21(36-31-5-6-32-36)10-19(18)35(23)14-7-13(8-15(37)9-14)33-24(38)25-30-12-20(39-25)22(27)28/h1-6,10-15,22,37H,7-9H2,(H,33,38)
InChIKeyHVJYIHXPJNQSKJ-UHFFFAOYSA-N
MW554.56 g/mol
LogP4.10
Rot. Bonds6

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

5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 168885402) has the molecular formula C25H21F3N8O2S and a molecular weight of 554.56 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide
PubChem CID168885402
Molecular FormulaC25H21F3N8O2S
Molecular Weight554.56 g/mol
Exact Mass554.15
IUPAC Name5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CC(O)CC(n2c(-c3ccccc3F)nc3cnc(-n4nccn4)cc32)C1)c1ncc(C(F)F)s1
InChIInChI=1S/C25H21F3N8O2S/c26-17-4-2-1-3-16(17)23-34-18-11-29-21(36-31-5-6-32-36)10-19(18)35(23)14-7-13(8-15(37)9-14)33-24(38)25-30-12-20(39-25)22(27)28/h1-6,10-15,22,37H,7-9H2,(H,33,38)
InChIKeyHVJYIHXPJNQSKJ-UHFFFAOYSA-N
XLogP4.10
TPSA123.64 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.56
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide (CID 168885402) is 5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide is O=C(NC1CC(O)CC(n2c(-c3ccccc3F)nc3cnc(-n4nccn4)cc32)C1)c1ncc(C(F)F)s1.
What is the InChIKey of 5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide?
The InChIKey is HVJYIHXPJNQSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N8O2S/c26-17-4-2-1-3-16(17)23-34-18-11-29-21(36-31-5-6-32-36)10-19(18)35(23)14-7-13(8-15(37)9-14)33-24(38)25-30-12-20(39-25)22(27)28/h1-6,10-15,22,37H,7-9H2,(H,33,38).
What are the key properties of 5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide?
5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 554.56 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[3-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168885402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).