1-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethanone

C25H21F6N5OS — CID 59571489

IUPAC1-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethanone
SMILESCc1nc2cnccc2n1CC(=O)N1CCC(c2cnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)CC1
InChIInChI=1S/C25H21F6N5OS/c1-14-34-19-11-32-5-2-20(19)36(14)13-22(37)35-6-3-15(4-7-35)21-12-33-23(38-21)16-8-17(24(26,27)28)10-18(9-16)25(29,30)31/h2,5,8-12,15H,3-4,6-7,13H2,1H3
InChIKeyFAPGCMXYJBXJNW-UHFFFAOYSA-N
MW553.53 g/mol
LogP6.31
Rot. Bonds4

About 1-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethanone

1-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethanone (PubChem CID 59571489) has the molecular formula C25H21F6N5OS and a molecular weight of 553.53 g/mol. Its IUPAC name is 1-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethanone
PubChem CID59571489
Molecular FormulaC25H21F6N5OS
Molecular Weight553.53 g/mol
Exact Mass553.14
IUPAC Name1-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethanone
SMILESCc1nc2cnccc2n1CC(=O)N1CCC(c2cnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)CC1
InChIInChI=1S/C25H21F6N5OS/c1-14-34-19-11-32-5-2-20(19)36(14)13-22(37)35-6-3-15(4-7-35)21-12-33-23(38-21)16-8-17(24(26,27)28)10-18(9-16)25(29,30)31/h2,5,8-12,15H,3-4,6-7,13H2,1H3
InChIKeyFAPGCMXYJBXJNW-UHFFFAOYSA-N
XLogP6.31
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.53
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethanone?
The IUPAC name of 1-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethanone (CID 59571489) is 1-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethanone.
What is the SMILES notation for 1-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethanone?
The canonical SMILES for 1-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethanone is Cc1nc2cnccc2n1CC(=O)N1CCC(c2cnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)CC1.
What is the InChIKey of 1-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethanone?
The InChIKey is FAPGCMXYJBXJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F6N5OS/c1-14-34-19-11-32-5-2-20(19)36(14)13-22(37)35-6-3-15(4-7-35)21-12-33-23(38-21)16-8-17(24(26,27)28)10-18(9-16)25(29,30)31/h2,5,8-12,15H,3-4,6-7,13H2,1H3.
What are the key properties of 1-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethanone?
1-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethanone has a molecular weight of 553.53 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]piperidin-1-yl]-2-(2-methylimidazo[4,5-c]pyridin-1-yl)ethanone is sourced from PubChem (CID 59571489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).