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

C24H19F3N8O2S — CID 168886274

IUPAC5-(difluoromethyl)-N-[5-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1COCC(n2c(-c3ccccc3F)nc3cnc(-n4nccn4)cc32)C1)c1ncc(C(F)F)s1
InChIInChI=1S/C24H19F3N8O2S/c25-16-4-2-1-3-15(16)22-33-17-9-28-20(35-30-5-6-31-35)8-18(17)34(22)14-7-13(11-37-12-14)32-23(36)24-29-10-19(38-24)21(26)27/h1-6,8-10,13-14,21H,7,11-12H2,(H,32,36)
InChIKeyRJTROEVVJVRZNB-UHFFFAOYSA-N
MW540.53 g/mol
LogP3.97
Rot. Bonds6

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

5-(difluoromethyl)-N-[5-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide (PubChem CID 168886274) has the molecular formula C24H19F3N8O2S and a molecular weight of 540.53 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[5-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[5-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide
PubChem CID168886274
Molecular FormulaC24H19F3N8O2S
Molecular Weight540.53 g/mol
Exact Mass540.13
IUPAC Name5-(difluoromethyl)-N-[5-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1COCC(n2c(-c3ccccc3F)nc3cnc(-n4nccn4)cc32)C1)c1ncc(C(F)F)s1
InChIInChI=1S/C24H19F3N8O2S/c25-16-4-2-1-3-15(16)22-33-17-9-28-20(35-30-5-6-31-35)8-18(17)34(22)14-7-13(11-37-12-14)32-23(36)24-29-10-19(38-24)21(26)27/h1-6,8-10,13-14,21H,7,11-12H2,(H,32,36)
InChIKeyRJTROEVVJVRZNB-UHFFFAOYSA-N
XLogP3.97
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[5-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[5-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide (CID 168886274) is 5-(difluoromethyl)-N-[5-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[5-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[5-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide is O=C(NC1COCC(n2c(-c3ccccc3F)nc3cnc(-n4nccn4)cc32)C1)c1ncc(C(F)F)s1.
What is the InChIKey of 5-(difluoromethyl)-N-[5-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is RJTROEVVJVRZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N8O2S/c25-16-4-2-1-3-15(16)22-33-17-9-28-20(35-30-5-6-31-35)8-18(17)34(22)14-7-13(11-37-12-14)32-23(36)24-29-10-19(38-24)21(26)27/h1-6,8-10,13-14,21H,7,11-12H2,(H,32,36).
What are the key properties of 5-(difluoromethyl)-N-[5-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide?
5-(difluoromethyl)-N-[5-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 540.53 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[5-[2-(2-fluorophenyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]oxan-3-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168886274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).