3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide

C22H23N5O2 — CID 97361970

IUPAC3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCOCCCNC(=O)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12
InChIInChI=1S/C22H23N5O2/c1-29-13-7-11-23-22(28)20-19-10-5-6-12-27(19)21(25-20)18-15-26(16-24-18)14-17-8-3-2-4-9-17/h2-6,8-10,12,15-16H,7,11,13-14H2,1H3,(H,23,28)
InChIKeyCSVREQMZLJGZBG-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.01
Rot. Bonds8

About 3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide

3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 97361970) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID97361970
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCOCCCNC(=O)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12
InChIInChI=1S/C22H23N5O2/c1-29-13-7-11-23-22(28)20-19-10-5-6-12-27(19)21(25-20)18-15-26(16-24-18)14-17-8-3-2-4-9-17/h2-6,8-10,12,15-16H,7,11,13-14H2,1H3,(H,23,28)
InChIKeyCSVREQMZLJGZBG-UHFFFAOYSA-N
XLogP3.01
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide
CID 97361988
3-(1-benzylimidazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 97447006
3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069112
1-N-(2-methoxyethyl)-3-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068900
3-(1-phenylimidazol-4-yl)-N-(2-pyridin-3-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 97447063
N-(2-methoxyethyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110647551
3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 97447189
[3-(1-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 97447020
3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-methoxyethyl)-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 97447180
N-(4-methoxybutyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110610181
1-N-(3-methoxypropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066968
3-N-ethyl-1-N-(2-methoxyethyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068926

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 97361970) is 3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide is COCCCNC(=O)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12.
What is the InChIKey of 3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is CSVREQMZLJGZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-29-13-7-11-23-22(28)20-19-10-5-6-12-27(19)21(25-20)18-15-26(16-24-18)14-17-8-3-2-4-9-17/h2-6,8-10,12,15-16H,7,11,13-14H2,1H3,(H,23,28).
What are the key properties of 3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide?
3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylimidazol-4-yl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 97361970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).