[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(2,2,2-trifluoroethyl)phenyl]methanone

C25H27F3N4O2 — CID 170734267

IUPAC[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(2,2,2-trifluoroethyl)phenyl]methanone
SMILESO=C(c1ccc(CC(F)(F)F)cc1)N1CCC(c2ccnc3nc(C4CCOCC4)[nH]c23)CC1
InChIInChI=1S/C25H27F3N4O2/c26-25(27,28)15-16-1-3-19(4-2-16)24(33)32-11-6-17(7-12-32)20-5-10-29-23-21(20)30-22(31-23)18-8-13-34-14-9-18/h1-5,10,17-18H,6-9,11-15H2,(H,29,30,31)
InChIKeyFKOXDVZPMXRLNY-UHFFFAOYSA-N
MW472.51 g/mol
LogP4.98
Rot. Bonds4

About [4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(2,2,2-trifluoroethyl)phenyl]methanone

[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(2,2,2-trifluoroethyl)phenyl]methanone (PubChem CID 170734267) has the molecular formula C25H27F3N4O2 and a molecular weight of 472.51 g/mol. Its IUPAC name is [4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(2,2,2-trifluoroethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(2,2,2-trifluoroethyl)phenyl]methanone
PubChem CID170734267
Molecular FormulaC25H27F3N4O2
Molecular Weight472.51 g/mol
Exact Mass472.21
IUPAC Name[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(2,2,2-trifluoroethyl)phenyl]methanone
SMILESO=C(c1ccc(CC(F)(F)F)cc1)N1CCC(c2ccnc3nc(C4CCOCC4)[nH]c23)CC1
InChIInChI=1S/C25H27F3N4O2/c26-25(27,28)15-16-1-3-19(4-2-16)24(33)32-11-6-17(7-12-32)20-5-10-29-23-21(20)30-22(31-23)18-8-13-34-14-9-18/h1-5,10,17-18H,6-9,11-15H2,(H,29,30,31)
InChIKeyFKOXDVZPMXRLNY-UHFFFAOYSA-N
XLogP4.98
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 170734259
[4-(pentafluoro-λ6-sulfanyl)phenyl]-[4-(2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
CID 170734633
[4-[2-[(2S)-oxolan-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 174173816
(3-aminoquinoxalin-2-yl)-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone
CID 170734256
[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone
CID 176894485
[4-[2-[(2R)-morpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone
CID 170734051
[4-[2-[(2S)-azetidin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 174173885
tert-butyl 3-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]azetidine-1-carboxylate
CID 170734136
[4-[2-[(1S,3S)-3-aminocyclohexyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 175994345
[4-[2-[(2R)-piperazin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 174174011
[4-[2-(4-aminooxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoroacetic acid
CID 174174133
tert-butyl (3R)-3-[7-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]azepane-1-carboxylate
CID 175994299

Frequently Asked Questions

What is the IUPAC name of [4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(2,2,2-trifluoroethyl)phenyl]methanone?
The IUPAC name of [4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(2,2,2-trifluoroethyl)phenyl]methanone (CID 170734267) is [4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(2,2,2-trifluoroethyl)phenyl]methanone.
What is the SMILES notation for [4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(2,2,2-trifluoroethyl)phenyl]methanone?
The canonical SMILES for [4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(2,2,2-trifluoroethyl)phenyl]methanone is O=C(c1ccc(CC(F)(F)F)cc1)N1CCC(c2ccnc3nc(C4CCOCC4)[nH]c23)CC1.
What is the InChIKey of [4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(2,2,2-trifluoroethyl)phenyl]methanone?
The InChIKey is FKOXDVZPMXRLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O2/c26-25(27,28)15-16-1-3-19(4-2-16)24(33)32-11-6-17(7-12-32)20-5-10-29-23-21(20)30-22(31-23)18-8-13-34-14-9-18/h1-5,10,17-18H,6-9,11-15H2,(H,29,30,31).
What are the key properties of [4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(2,2,2-trifluoroethyl)phenyl]methanone?
[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(2,2,2-trifluoroethyl)phenyl]methanone has a molecular weight of 472.51 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(2,2,2-trifluoroethyl)phenyl]methanone is sourced from PubChem (CID 170734267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).