N-[4-(hydroxymethyl)oxan-4-yl]-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide

C21H22F3N3O3 — CID 91556624

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1(CO)CCOCC1)C1NC(c2cccc(C(F)(F)F)c2)=C2C=CC=CN21
InChIInChI=1S/C21H22F3N3O3/c22-21(23,24)15-5-3-4-14(12-15)17-16-6-1-2-9-27(16)18(25-17)19(29)26-20(13-28)7-10-30-11-8-20/h1-6,9,12,18,25,28H,7-8,10-11,13H2,(H,26,29)
InChIKeyNMLJATGREFPNLL-UHFFFAOYSA-N
MW421.42 g/mol
LogP2.35
Rot. Bonds4

About N-[4-(hydroxymethyl)oxan-4-yl]-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 91556624) has the molecular formula C21H22F3N3O3 and a molecular weight of 421.42 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID91556624
Molecular FormulaC21H22F3N3O3
Molecular Weight421.42 g/mol
Exact Mass421.16
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1(CO)CCOCC1)C1NC(c2cccc(C(F)(F)F)c2)=C2C=CC=CN21
InChIInChI=1S/C21H22F3N3O3/c22-21(23,24)15-5-3-4-14(12-15)17-16-6-1-2-9-27(16)18(25-17)19(29)26-20(13-28)7-10-30-11-8-20/h1-6,9,12,18,25,28H,7-8,10-11,13H2,(H,26,29)
InChIKeyNMLJATGREFPNLL-UHFFFAOYSA-N
XLogP2.35
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
CID 91047712
8-fluoro-1-(4-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
CID 91103267
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 116749027
N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 71886913
4-(aminomethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120918176
1-(4-fluorophenyl)-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
CID 90965670
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298371
N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106704048
N-(1-adamantyl)-1-[(2,2,2-trifluoroethylamino)methyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
CID 91148079
N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide
CID 104630714
N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide
CID 104630422
2-cyclopropyl-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 104630587

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide (CID 91556624) is N-[4-(hydroxymethyl)oxan-4-yl]-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide is O=C(NC1(CO)CCOCC1)C1NC(c2cccc(C(F)(F)F)c2)=C2C=CC=CN21.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is NMLJATGREFPNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O3/c22-21(23,24)15-5-3-4-14(12-15)17-16-6-1-2-9-27(16)18(25-17)19(29)26-20(13-28)7-10-30-11-8-20/h1-6,9,12,18,25,28H,7-8,10-11,13H2,(H,26,29).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 421.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 91556624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).