1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C19H23ClN4O3 — CID 109075308

IUPAC1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOCCCNC(=O)c1nc(C(=O)Nc2ccccc2Cl)c2n1CCCC2
InChIInChI=1S/C19H23ClN4O3/c1-27-12-6-10-21-19(26)17-23-16(15-9-4-5-11-24(15)17)18(25)22-14-8-3-2-7-13(14)20/h2-3,7-8H,4-6,9-12H2,1H3,(H,21,26)(H,22,25)
InChIKeyDKLQSEUPQWSPPF-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.89
Rot. Bonds7

About 1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109075308) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109075308
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOCCCNC(=O)c1nc(C(=O)Nc2ccccc2Cl)c2n1CCCC2
InChIInChI=1S/C19H23ClN4O3/c1-27-12-6-10-21-19(26)17-23-16(15-9-4-5-11-24(15)17)18(25)22-14-8-3-2-7-13(14)20/h2-3,7-8H,4-6,9-12H2,1H3,(H,21,26)(H,22,25)
InChIKeyDKLQSEUPQWSPPF-UHFFFAOYSA-N
XLogP2.89
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-chlorophenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075138
3-N-(3-methoxypropyl)-1-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075287
3-N-(3-methoxypropyl)-1-N-(2-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075303
1-N-(2-cyanophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075320
1-N-(2-ethoxyphenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075149
3-N-(2-chlorophenyl)-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072504
3-N-(2-chlorophenyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077444
1-N-(3-chloro-4-methylphenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075144
1-N-(2-ethoxyphenyl)-3-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077128
1-N-(3-methoxypropyl)-3-N-methyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075212
1-N-butyl-3-N-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073420
1-N-(2,6-dimethylphenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075123

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109075308) is 1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is COCCCNC(=O)c1nc(C(=O)Nc2ccccc2Cl)c2n1CCCC2.
What is the InChIKey of 1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is DKLQSEUPQWSPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-27-12-6-10-21-19(26)17-23-16(15-9-4-5-11-24(15)17)18(25)22-14-8-3-2-7-13(14)20/h2-3,7-8H,4-6,9-12H2,1H3,(H,21,26)(H,22,25).
What are the key properties of 1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 390.87 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109075308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).