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

C22H21FN4O2 — CID 109076195

IUPAC1-N-benzyl-3-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(NCc1ccccc1)c1nc(C(=O)Nc2ccc(F)cc2)n2c1CCCC2
InChIInChI=1S/C22H21FN4O2/c23-16-9-11-17(12-10-16)25-22(29)20-26-19(18-8-4-5-13-27(18)20)21(28)24-14-15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,13-14H2,(H,24,28)(H,25,29)
InChIKeyXUXUQUVKFCSPFR-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.54
Rot. Bonds5

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

1-N-benzyl-3-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109076195) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-N-benzyl-3-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-3-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109076195
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name1-N-benzyl-3-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(NCc1ccccc1)c1nc(C(=O)Nc2ccc(F)cc2)n2c1CCCC2
InChIInChI=1S/C22H21FN4O2/c23-16-9-11-17(12-10-16)25-22(29)20-26-19(18-8-4-5-13-27(18)20)21(28)24-14-15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,13-14H2,(H,24,28)(H,25,29)
InChIKeyXUXUQUVKFCSPFR-UHFFFAOYSA-N
XLogP3.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(4-fluorophenyl)methyl]-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076351
3-N-benzyl-1-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076217
3-N-benzyl-1-N-(4-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076224
1-N-phenyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076518
1-N,3-N-diphenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077427
3-N-phenyl-1-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076535
3-N-benzyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073048
3-(azepane-1-carbonyl)-N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109076350
1-N-benzyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072584
1-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077503
1-N-(3,4-difluorophenyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077486
N-benzyl-1-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109074526

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-3-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-benzyl-3-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109076195) is 1-N-benzyl-3-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-3-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-benzyl-3-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is O=C(NCc1ccccc1)c1nc(C(=O)Nc2ccc(F)cc2)n2c1CCCC2.
What is the InChIKey of 1-N-benzyl-3-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is XUXUQUVKFCSPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-16-9-11-17(12-10-16)25-22(29)20-26-19(18-8-4-5-13-27(18)20)21(28)24-14-15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,13-14H2,(H,24,28)(H,25,29).
What are the key properties of 1-N-benzyl-3-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-benzyl-3-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 392.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-3-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109076195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).