1-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H21FN4O2 — CID 109077503

IUPAC1-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1ccccc1NC(=O)c1nc(C(=O)Nc2ccc(F)cc2)c2n1CCCC2
InChIInChI=1S/C22H21FN4O2/c1-14-6-2-3-7-17(14)25-22(29)20-26-19(18-8-4-5-13-27(18)20)21(28)24-16-11-9-15(23)10-12-16/h2-3,6-7,9-12H,4-5,8,13H2,1H3,(H,24,28)(H,25,29)
InChIKeyMWIVULYWNSPDIS-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.17
Rot. Bonds4

About 1-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109077503) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109077503
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name1-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1ccccc1NC(=O)c1nc(C(=O)Nc2ccc(F)cc2)c2n1CCCC2
InChIInChI=1S/C22H21FN4O2/c1-14-6-2-3-7-17(14)25-22(29)20-26-19(18-8-4-5-13-27(18)20)21(28)24-16-11-9-15(23)10-12-16/h2-3,6-7,9-12H,4-5,8,13H2,1H3,(H,24,28)(H,25,29)
InChIKeyMWIVULYWNSPDIS-UHFFFAOYSA-N
XLogP4.17
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(2-cyanophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077505
1-N,3-N-diphenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077427
1-N-benzyl-3-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076195
3-N-(2-chlorophenyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077444
1-N-[(4-fluorophenyl)methyl]-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076351
3-N-(3-methoxypropyl)-1-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075287
1-N-(3,4-difluorophenyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077486
1-N-[3-(dimethylamino)propyl]-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075798
3-(4-ethylpiperazine-1-carbonyl)-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109076013
1-N-butyl-1-N-methyl-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077151
1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072521
3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076819

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109077503) is 1-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1ccccc1NC(=O)c1nc(C(=O)Nc2ccc(F)cc2)c2n1CCCC2.
What is the InChIKey of 1-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is MWIVULYWNSPDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-14-6-2-3-7-17(14)25-22(29)20-26-19(18-8-4-5-13-27(18)20)21(28)24-16-11-9-15(23)10-12-16/h2-3,6-7,9-12H,4-5,8,13H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 1-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 392.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109077503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).