8-fluoro-1-(4-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide

C20H21F2N3O3 — CID 91103267

IUPAC8-fluoro-1-(4-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1(CO)CCOCC1)C1NC(c2ccc(F)cc2)=C2C(F)=CC=CN21
InChIInChI=1S/C20H21F2N3O3/c21-14-5-3-13(4-6-14)16-17-15(22)2-1-9-25(17)18(23-16)19(27)24-20(12-26)7-10-28-11-8-20/h1-6,9,18,23,26H,7-8,10-12H2,(H,24,27)
InChIKeyPZVPYOKHIKKNBD-UHFFFAOYSA-N
MW389.40 g/mol
LogP1.76
Rot. Bonds4

About 8-fluoro-1-(4-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide

8-fluoro-1-(4-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 91103267) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is 8-fluoro-1-(4-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-1-(4-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID91103267
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC Name8-fluoro-1-(4-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1(CO)CCOCC1)C1NC(c2ccc(F)cc2)=C2C(F)=CC=CN21
InChIInChI=1S/C20H21F2N3O3/c21-14-5-3-13(4-6-14)16-17-15(22)2-1-9-25(17)18(23-16)19(27)24-20(12-26)7-10-28-11-8-20/h1-6,9,18,23,26H,7-8,10-12H2,(H,24,27)
InChIKeyPZVPYOKHIKKNBD-UHFFFAOYSA-N
XLogP1.76
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(diethylcarbamoyl)phenyl]-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
CID 90734835
N-[4-(hydroxymethyl)oxan-4-yl]-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
CID 91556624
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
1-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
CID 91188533
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298371
(2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide
CID 104630614
N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106704048
N-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide
CID 136531054
2-[4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid
CID 119215271
2-(2-fluorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954074
N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide
CID 104630422
4-fluoro-3-hydroxy-N-[4-(hydroxymethyl)oxan-4-yl]-8,8a-dihydrocyclohepta[c]pyrrole-1-carboxamide
CID 143721836

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-(4-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 8-fluoro-1-(4-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide (CID 91103267) is 8-fluoro-1-(4-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-fluoro-1-(4-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 8-fluoro-1-(4-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide is O=C(NC1(CO)CCOCC1)C1NC(c2ccc(F)cc2)=C2C(F)=CC=CN21.
What is the InChIKey of 8-fluoro-1-(4-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is PZVPYOKHIKKNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c21-14-5-3-13(4-6-14)16-17-15(22)2-1-9-25(17)18(23-16)19(27)24-20(12-26)7-10-28-11-8-20/h1-6,9,18,23,26H,7-8,10-12H2,(H,24,27).
What are the key properties of 8-fluoro-1-(4-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
8-fluoro-1-(4-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 389.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-(4-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 91103267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).