1-N-[2-(3-methoxyphenyl)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H24N4O3 — CID 109066366

IUPAC1-N-[2-(3-methoxyphenyl)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOc1cccc(CCNC(=O)c2nc(C(=O)NC(C)C)n3ccccc23)c1
InChIInChI=1S/C21H24N4O3/c1-14(2)23-21(27)19-24-18(17-9-4-5-12-25(17)19)20(26)22-11-10-15-7-6-8-16(13-15)28-3/h4-9,12-14H,10-11H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyIIAPOZDOASWTFK-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.45
Rot. Bonds7

About 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-[2-(3-methoxyphenyl)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109066366) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(3-methoxyphenyl)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109066366
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1-N-[2-(3-methoxyphenyl)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOc1cccc(CCNC(=O)c2nc(C(=O)NC(C)C)n3ccccc23)c1
InChIInChI=1S/C21H24N4O3/c1-14(2)23-21(27)19-24-18(17-9-4-5-12-25(17)19)20(26)22-11-10-15-7-6-8-16(13-15)28-3/h4-9,12-14H,10-11H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyIIAPOZDOASWTFK-UHFFFAOYSA-N
XLogP2.45
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067549
1-N-butan-2-yl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067678
1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067160
1-N-[2-(4-methoxyphenoxy)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066382
3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067421
3-N-[2-(4-methoxyphenoxy)ethyl]-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066226
1-N-butan-2-yl-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067673
3-N-[2-(4-methoxyphenyl)ethyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066843
1-N-[2-(dimethylamino)ethyl]-3-N-(3-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069638
1-N-tert-butyl-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070790
3-N-(4-methoxyphenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065963
1-N-(2-methoxyethyl)-3-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068900

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109066366) is 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide is COc1cccc(CCNC(=O)c2nc(C(=O)NC(C)C)n3ccccc23)c1.
What is the InChIKey of 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is IIAPOZDOASWTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14(2)23-21(27)19-24-18(17-9-4-5-12-25(17)19)20(26)22-11-10-15-7-6-8-16(13-15)28-3/h4-9,12-14H,10-11H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109066366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).