1-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide

C21H24FN3O2 — CID 91188533

IUPAC1-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NCC1(CO)CCCC1)C1NC(c2ccc(F)cc2)=C2C=CC=CN21
InChIInChI=1S/C21H24FN3O2/c22-16-8-6-15(7-9-16)18-17-5-1-4-12-25(17)19(24-18)20(27)23-13-21(14-26)10-2-3-11-21/h1,4-9,12,19,24,26H,2-3,10-11,13-14H2,(H,23,27)
InChIKeyNVGBDUKPTNCLDH-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.48
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide

1-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 91188533) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID91188533
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name1-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NCC1(CO)CCCC1)C1NC(c2ccc(F)cc2)=C2C=CC=CN21
InChIInChI=1S/C21H24FN3O2/c22-16-8-6-15(7-9-16)18-17-5-1-4-12-25(17)19(24-18)20(27)23-13-21(14-26)10-2-3-11-21/h1,4-9,12,19,24,26H,2-3,10-11,13-14H2,(H,23,27)
InChIKeyNVGBDUKPTNCLDH-UHFFFAOYSA-N
XLogP2.48
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide with MolForge

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Related Compounds

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
3-cyclopropyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
CID 90815671
8-fluoro-1-(4-fluorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
CID 91103267
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 91954491
1-(2,4-difluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
CID 115683139
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631435
4,4-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 115774921
N-[[1-(hydroxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide
CID 113293938
(2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide
CID 104914457
1-[(1S,2R)-2-(4-fluorophenyl)cyclopentyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 97077943
5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 110310181
2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362465

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide (CID 91188533) is 1-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide is O=C(NCC1(CO)CCCC1)C1NC(c2ccc(F)cc2)=C2C=CC=CN21.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is NVGBDUKPTNCLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-16-8-6-15(7-9-16)18-17-5-1-4-12-25(17)19(24-18)20(27)23-13-21(14-26)10-2-3-11-21/h1,4-9,12,19,24,26H,2-3,10-11,13-14H2,(H,23,27).
What are the key properties of 1-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
1-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 91188533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).