3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide

C26H24N6O — CID 97447189

IUPAC3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1nc(-c2nc(C(=O)NCCc3ccccn3)c3ccccn23)cn1Cc1ccccc1
InChIInChI=1S/C26H24N6O/c1-19-29-22(18-31(19)17-20-9-3-2-4-10-20)25-30-24(23-12-6-8-16-32(23)25)26(33)28-15-13-21-11-5-7-14-27-21/h2-12,14,16,18H,13,15,17H2,1H3,(H,28,33)
InChIKeyBIGMWSRQJNWGHL-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.92
Rot. Bonds7

About 3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide

3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 97447189) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID97447189
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1nc(-c2nc(C(=O)NCCc3ccccn3)c3ccccn23)cn1Cc1ccccc1
InChIInChI=1S/C26H24N6O/c1-19-29-22(18-31(19)17-20-9-3-2-4-10-20)25-30-24(23-12-6-8-16-32(23)25)26(33)28-15-13-21-11-5-7-14-27-21/h2-12,14,16,18H,13,15,17H2,1H3,(H,28,33)
InChIKeyBIGMWSRQJNWGHL-UHFFFAOYSA-N
XLogP3.92
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-benzyl-2-methylimidazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 97447191
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-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97447182
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
1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 31941346
3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 97361970
3-(1-phenylimidazol-4-yl)-N-(2-pyridin-3-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 97447063
3-(1-methylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155869533
N-(2-phenylethyl)-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide
CID 131670927
3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide
CID 97446932
3-(1-propan-2-ylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155857144

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 97447189) is 3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide is Cc1nc(-c2nc(C(=O)NCCc3ccccn3)c3ccccn23)cn1Cc1ccccc1.
What is the InChIKey of 3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is BIGMWSRQJNWGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-19-29-22(18-31(19)17-20-9-3-2-4-10-20)25-30-24(23-12-6-8-16-32(23)25)26(33)28-15-13-21-11-5-7-14-27-21/h2-12,14,16,18H,13,15,17H2,1H3,(H,28,33).
What are the key properties of 3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide?
3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 97447189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).