3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid

C23H23F4N3O4 — CID 173128485

IUPAC3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1(CO)CCCC1)c1nc(-c2ccc(F)cc2)n2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C21H22FN3O2.C2HF3O2/c22-16-8-6-15(7-9-16)19-24-18(17-5-1-4-12-25(17)19)20(27)23-13-21(14-26)10-2-3-11-21;3-2(4,5)1(6)7/h1,4-9,12,26H,2-3,10-11,13-14H2,(H,23,27);(H,6,7)
InChIKeyICINUCRTMYALMH-UHFFFAOYSA-N
MW481.45 g/mol
LogP4.06
Rot. Bonds5

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

3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 173128485) has the molecular formula C23H23F4N3O4 and a molecular weight of 481.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID173128485
Molecular FormulaC23H23F4N3O4
Molecular Weight481.45 g/mol
Exact Mass481.16
IUPAC Name3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1(CO)CCCC1)c1nc(-c2ccc(F)cc2)n2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C21H22FN3O2.C2HF3O2/c22-16-8-6-15(7-9-16)19-24-18(17-5-1-4-12-25(17)19)20(27)23-13-21(14-26)10-2-3-11-21;3-2(4,5)1(6)7/h1,4-9,12,26H,2-3,10-11,13-14H2,(H,23,27);(H,6,7)
InChIKeyICINUCRTMYALMH-UHFFFAOYSA-N
XLogP4.06
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.45
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 171925666
3-tert-butyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110631484
3-[(4,4-difluoropiperidin-1-yl)methyl]-N-[[1-(hydroxymethyl)cyclohexyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171926378
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 70943829
3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 57453264
N-(dicyclopropylmethyl)-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 70943821
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CID 70943990
3-(4-fluorophenyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 58023866
3-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 154869565
3-(3-hydroxyphenyl)-N-[(4-hydroxy-1-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 143722186
3-(3-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171927394
3-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 173128485) is 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCC1(CO)CCCC1)c1nc(-c2ccc(F)cc2)n2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ICINUCRTMYALMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2.C2HF3O2/c22-16-8-6-15(7-9-16)19-24-18(17-5-1-4-12-25(17)19)20(27)23-13-21(14-26)10-2-3-11-21;3-2(4,5)1(6)7/h1,4-9,12,26H,2-3,10-11,13-14H2,(H,23,27);(H,6,7).
What are the key properties of 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 481.45 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 173128485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).