1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone

C24H18F7N5OS — CID 16746942

IUPAC1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
SMILESO=C(Cn1cnc2cccnc21)N1CCC(c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(F)s2)CC1
InChIInChI=1S/C24H18F7N5OS/c25-20-19(14-8-15(23(26,27)28)10-16(9-14)24(29,30)31)34-22(38-20)13-3-6-35(7-4-13)18(37)11-36-12-33-17-2-1-5-32-21(17)36/h1-2,5,8-10,12-13H,3-4,6-7,11H2
InChIKeyGRCHOIMBBXRWHK-UHFFFAOYSA-N
MW557.50 g/mol
LogP6.14
Rot. Bonds4

About 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone

1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone (PubChem CID 16746942) has the molecular formula C24H18F7N5OS and a molecular weight of 557.50 g/mol. Its IUPAC name is 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
PubChem CID16746942
Molecular FormulaC24H18F7N5OS
Molecular Weight557.50 g/mol
Exact Mass557.11
IUPAC Name1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
SMILESO=C(Cn1cnc2cccnc21)N1CCC(c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(F)s2)CC1
InChIInChI=1S/C24H18F7N5OS/c25-20-19(14-8-15(23(26,27)28)10-16(9-14)24(29,30)31)34-22(38-20)13-3-6-35(7-4-13)18(37)11-36-12-33-17-2-1-5-32-21(17)36/h1-2,5,8-10,12-13H,3-4,6-7,11H2
InChIKeyGRCHOIMBBXRWHK-UHFFFAOYSA-N
XLogP6.14
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.50
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone?
The IUPAC name of 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone (CID 16746942) is 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone.
What is the SMILES notation for 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone?
The canonical SMILES for 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone is O=C(Cn1cnc2cccnc21)N1CCC(c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(F)s2)CC1.
What is the InChIKey of 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone?
The InChIKey is GRCHOIMBBXRWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F7N5OS/c25-20-19(14-8-15(23(26,27)28)10-16(9-14)24(29,30)31)34-22(38-20)13-3-6-35(7-4-13)18(37)11-36-12-33-17-2-1-5-32-21(17)36/h1-2,5,8-10,12-13H,3-4,6-7,11H2.
What are the key properties of 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone?
1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone has a molecular weight of 557.50 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3,5-bis(trifluoromethyl)phenyl]-5-fluoro-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone is sourced from PubChem (CID 16746942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).