3-[1-[(2,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid

C28H23F5N6O3 — CID 155857419

IUPAC3-[1-[(2,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(-c2nc(C(=O)NCCc3ccncc3)c3ccccn23)cn1Cc1ccc(F)cc1F.O=C(O)C(F)(F)F
InChIInChI=1S/C26H22F2N6O.C2HF3O2/c1-17-31-22(16-33(17)15-19-5-6-20(27)14-21(19)28)25-32-24(23-4-2-3-13-34(23)25)26(35)30-12-9-18-7-10-29-11-8-18;3-2(4,5)1(6)7/h2-8,10-11,13-14,16H,9,12,15H2,1H3,(H,30,35);(H,6,7)
InChIKeyUKFZABKDVWFMCX-UHFFFAOYSA-N
MW586.52 g/mol
LogP4.83
Rot. Bonds7

About 3-[1-[(2,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid

3-[1-[(2,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155857419) has the molecular formula C28H23F5N6O3 and a molecular weight of 586.52 g/mol. Its IUPAC name is 3-[1-[(2,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[1-[(2,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155857419
Molecular FormulaC28H23F5N6O3
Molecular Weight586.52 g/mol
Exact Mass586.18
IUPAC Name3-[1-[(2,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(-c2nc(C(=O)NCCc3ccncc3)c3ccccn23)cn1Cc1ccc(F)cc1F.O=C(O)C(F)(F)F
InChIInChI=1S/C26H22F2N6O.C2HF3O2/c1-17-31-22(16-33(17)15-19-5-6-20(27)14-21(19)28)25-32-24(23-4-2-3-13-34(23)25)26(35)30-12-9-18-7-10-29-11-8-18;3-2(4,5)1(6)7/h2-8,10-11,13-14,16H,9,12,15H2,1H3,(H,30,35);(H,6,7)
InChIKeyUKFZABKDVWFMCX-UHFFFAOYSA-N
XLogP4.83
TPSA114.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.52
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[1-[(2,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 97447189
3-(1-benzyl-2-methylimidazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 97447191
3-(1-phenylimidazol-4-yl)-N-(2-pyridin-3-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 97447063
3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-methoxyethyl)-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 97447180
[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone
CID 97447183
3-phenyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 57383723
3-N,3-N-diethyl-1-N-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070825
[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97447182
3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 97361970
1-N-tert-butyl-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070790
3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070735
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 70943829

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[1-[(2,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155857419) is 3-[1-[(2,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[1-[(2,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[1-[(2,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is Cc1nc(-c2nc(C(=O)NCCc3ccncc3)c3ccccn23)cn1Cc1ccc(F)cc1F.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[1-[(2,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UKFZABKDVWFMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O.C2HF3O2/c1-17-31-22(16-33(17)15-19-5-6-20(27)14-21(19)28)25-32-24(23-4-2-3-13-34(23)25)26(35)30-12-9-18-7-10-29-11-8-18;3-2(4,5)1(6)7/h2-8,10-11,13-14,16H,9,12,15H2,1H3,(H,30,35);(H,6,7).
What are the key properties of 3-[1-[(2,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
3-[1-[(2,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 586.52 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,4-difluorophenyl)methyl]-2-methylimidazol-4-yl]-N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155857419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).