1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H22N4O3 — CID 109076099

IUPAC1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2nc(C(=O)NCc3ccco3)c3n2CCCC3)c1
InChIInChI=1S/C21H22N4O3/c1-14-6-4-7-15(12-14)23-21(27)19-24-18(17-9-2-3-10-25(17)19)20(26)22-13-16-8-5-11-28-16/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,22,26)(H,23,27)
InChIKeyXOGQSGCNPGDASS-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.30
Rot. Bonds5

About 1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109076099) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109076099
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2nc(C(=O)NCc3ccco3)c3n2CCCC3)c1
InChIInChI=1S/C21H22N4O3/c1-14-6-4-7-15(12-14)23-21(27)19-24-18(17-9-2-3-10-25(17)19)20(26)22-13-16-8-5-11-28-16/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,22,26)(H,23,27)
InChIKeyXOGQSGCNPGDASS-UHFFFAOYSA-N
XLogP3.30
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(2,4-dimethylphenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076103
3-N-(4-cyanophenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076123
1-N-tert-butyl-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076776
1-N-(furan-2-ylmethyl)-3-N-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076117
3-N,3-N-diethyl-1-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076694
1-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076161
3-N-[(3-methylphenyl)methyl]-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072122
1-N,3-N-diphenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077427
3-(2-ethylpiperidine-1-carbonyl)-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109077261
3-N-(3-fluorophenyl)-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076424
1-N-[(4-fluorophenyl)methyl]-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076351
3-N-(4-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073647

Frequently Asked Questions

What is the IUPAC name of 1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109076099) is 1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1cccc(NC(=O)c2nc(C(=O)NCc3ccco3)c3n2CCCC3)c1.
What is the InChIKey of 1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is XOGQSGCNPGDASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-6-4-7-15(12-14)23-21(27)19-24-18(17-9-2-3-10-25(17)19)20(26)22-13-16-8-5-11-28-16/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109076099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).