6-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one

C22H23F3N4O2 — CID 154839958

IUPAC6-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)[nH]c2ncc(-c3cccc(C(=O)N4CCC(C(F)(F)F)C(C)(C)C4)c3)cc21
InChIInChI=1S/C22H23F3N4O2/c1-21(2)12-29(8-7-17(21)22(23,24)25)19(30)14-6-4-5-13(9-14)15-10-16-18(26-11-15)27-20(31)28(16)3/h4-6,9-11,17H,7-8,12H2,1-3H3,(H,26,27,31)
InChIKeyALIWSSZCKCNYBE-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.98
Rot. Bonds2

About 6-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one

6-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 154839958) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 6-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID154839958
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC Name6-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)[nH]c2ncc(-c3cccc(C(=O)N4CCC(C(F)(F)F)C(C)(C)C4)c3)cc21
InChIInChI=1S/C22H23F3N4O2/c1-21(2)12-29(8-7-17(21)22(23,24)25)19(30)14-6-4-5-13(9-14)15-10-16-18(26-11-15)27-20(31)28(16)3/h4-6,9-11,17H,7-8,12H2,1-3H3,(H,26,27,31)
InChIKeyALIWSSZCKCNYBE-UHFFFAOYSA-N
XLogP3.98
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-6-[3-[4-(2-methyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 146127382
6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
CID 154807071
N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 97310044
[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 99831311
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 56951245
6-[3-(4-benzyl-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carbonyl)phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
CID 146135394
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 154753034
[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 99795437
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-phenyl-3-pyridinyl)methanone
CID 120818980
N-[3-(1H-indol-3-yl)propyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 56924673
N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 146127384
1-(2-cyclobutyl-2-oxoethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 134493753

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one (CID 154839958) is 6-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one is Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)N4CCC(C(F)(F)F)C(C)(C)C4)c3)cc21.
What is the InChIKey of 6-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is ALIWSSZCKCNYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-21(2)12-29(8-7-17(21)22(23,24)25)19(30)14-6-4-5-13(9-14)15-10-16-18(26-11-15)27-20(31)28(16)3/h4-6,9-11,17H,7-8,12H2,1-3H3,(H,26,27,31).
What are the key properties of 6-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one?
6-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 432.45 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 154839958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).