N-(3-hydroxy-4-methoxy-3-methylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C15H22F3N3O3 — CID 154843056

IUPACN-(3-hydroxy-4-methoxy-3-methylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCOCC(C)(O)CCNC(=O)c1nc(C(F)(F)F)n2c1CCCC2
InChIInChI=1S/C15H22F3N3O3/c1-14(23,9-24-2)6-7-19-12(22)11-10-5-3-4-8-21(10)13(20-11)15(16,17)18/h23H,3-9H2,1-2H3,(H,19,22)
InChIKeyZIAABJDZTFJZIO-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.76
Rot. Bonds6

About N-(3-hydroxy-4-methoxy-3-methylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

N-(3-hydroxy-4-methoxy-3-methylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 154843056) has the molecular formula C15H22F3N3O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxy-3-methylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxy-3-methylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID154843056
Molecular FormulaC15H22F3N3O3
Molecular Weight349.35 g/mol
Exact Mass349.16
IUPAC NameN-(3-hydroxy-4-methoxy-3-methylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCOCC(C)(O)CCNC(=O)c1nc(C(F)(F)F)n2c1CCCC2
InChIInChI=1S/C15H22F3N3O3/c1-14(23,9-24-2)6-7-19-12(22)11-10-5-3-4-8-21(10)13(20-11)15(16,17)18/h23H,3-9H2,1-2H3,(H,19,22)
InChIKeyZIAABJDZTFJZIO-UHFFFAOYSA-N
XLogP1.76
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 95786877
[(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 138030966
[3-Tert-butyl-3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 154847875
N-(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 154852743
N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 154852745
N-(3,3-dimethylbutan-2-yl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 72109870
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 58054200
N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(3-hydroxy-3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 76680406
N-[4-(diethylamino)-4-oxobutyl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 72109820
N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 95786878
1-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072095
3-N-propan-2-yl-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072096

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxy-3-methylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxy-3-methylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 154843056) is N-(3-hydroxy-4-methoxy-3-methylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxy-3-methylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxy-3-methylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is COCC(C)(O)CCNC(=O)c1nc(C(F)(F)F)n2c1CCCC2.
What is the InChIKey of N-(3-hydroxy-4-methoxy-3-methylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is ZIAABJDZTFJZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O3/c1-14(23,9-24-2)6-7-19-12(22)11-10-5-3-4-8-21(10)13(20-11)15(16,17)18/h23H,3-9H2,1-2H3,(H,19,22).
What are the key properties of N-(3-hydroxy-4-methoxy-3-methylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
N-(3-hydroxy-4-methoxy-3-methylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxy-3-methylbutyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 154843056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).