2-cyclopropyl-4-[4-[[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]oxy-1,3-thiazole-5-carboxamide

C25H25F6N5O5S — CID 166696273

IUPAC2-cyclopropyl-4-[4-[[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]oxy-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(C2CC2)nc1OC1CCC(NC(=O)c2cnn3cc(OCC(O)(C(F)(F)F)C(F)(F)F)ccc23)CC1
InChIInChI=1S/C25H25F6N5O5S/c26-24(27,28)23(39,25(29,30)31)11-40-15-7-8-17-16(9-33-36(17)10-15)20(38)34-13-3-5-14(6-4-13)41-21-18(19(32)37)42-22(35-21)12-1-2-12/h7-10,12-14,39H,1-6,11H2,(H2,32,37)(H,34,38)
InChIKeyFHXBAMCSEIUERQ-UHFFFAOYSA-N
MW621.56 g/mol
LogP4.12
Rot. Bonds9

About 2-cyclopropyl-4-[4-[[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]oxy-1,3-thiazole-5-carboxamide

2-cyclopropyl-4-[4-[[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]oxy-1,3-thiazole-5-carboxamide (PubChem CID 166696273) has the molecular formula C25H25F6N5O5S and a molecular weight of 621.56 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-[[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]oxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-[[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]oxy-1,3-thiazole-5-carboxamide
PubChem CID166696273
Molecular FormulaC25H25F6N5O5S
Molecular Weight621.56 g/mol
Exact Mass621.15
IUPAC Name2-cyclopropyl-4-[4-[[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]oxy-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(C2CC2)nc1OC1CCC(NC(=O)c2cnn3cc(OCC(O)(C(F)(F)F)C(F)(F)F)ccc23)CC1
InChIInChI=1S/C25H25F6N5O5S/c26-24(27,28)23(39,25(29,30)31)11-40-15-7-8-17-16(9-33-36(17)10-15)20(38)34-13-3-5-14(6-4-13)41-21-18(19(32)37)42-22(35-21)12-1-2-12/h7-10,12-14,39H,1-6,11H2,(H2,32,37)(H,34,38)
InChIKeyFHXBAMCSEIUERQ-UHFFFAOYSA-N
XLogP4.12
TPSA141.07 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.56
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-cyclopropyl-4-[4-[[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]oxy-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-[[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]oxy-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-4-[4-[[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]oxy-1,3-thiazole-5-carboxamide (CID 166696273) is 2-cyclopropyl-4-[4-[[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]oxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-4-[4-[[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]oxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-4-[4-[[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]oxy-1,3-thiazole-5-carboxamide is NC(=O)c1sc(C2CC2)nc1OC1CCC(NC(=O)c2cnn3cc(OCC(O)(C(F)(F)F)C(F)(F)F)ccc23)CC1.
What is the InChIKey of 2-cyclopropyl-4-[4-[[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]oxy-1,3-thiazole-5-carboxamide?
The InChIKey is FHXBAMCSEIUERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F6N5O5S/c26-24(27,28)23(39,25(29,30)31)11-40-15-7-8-17-16(9-33-36(17)10-15)20(38)34-13-3-5-14(6-4-13)41-21-18(19(32)37)42-22(35-21)12-1-2-12/h7-10,12-14,39H,1-6,11H2,(H2,32,37)(H,34,38).
What are the key properties of 2-cyclopropyl-4-[4-[[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]oxy-1,3-thiazole-5-carboxamide?
2-cyclopropyl-4-[4-[[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]oxy-1,3-thiazole-5-carboxamide has a molecular weight of 621.56 g/mol, XLogP of 4.12, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-[[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]oxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166696273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).