3-N-butan-2-yl-1-N-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H25FN4O2 — CID 109073978

IUPAC3-N-butan-2-yl-1-N-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1nc(C(=O)NCc2ccccc2F)c2n1CCCC2
InChIInChI=1S/C20H25FN4O2/c1-3-13(2)23-20(27)18-24-17(16-10-6-7-11-25(16)18)19(26)22-12-14-8-4-5-9-15(14)21/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyXVQCMLCMIHFTQY-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.82
Rot. Bonds6

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

3-N-butan-2-yl-1-N-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109073978) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 3-N-butan-2-yl-1-N-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butan-2-yl-1-N-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109073978
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name3-N-butan-2-yl-1-N-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1nc(C(=O)NCc2ccccc2F)c2n1CCCC2
InChIInChI=1S/C20H25FN4O2/c1-3-13(2)23-20(27)18-24-17(16-10-6-7-11-25(16)18)19(26)22-12-14-8-4-5-9-15(14)21/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyXVQCMLCMIHFTQY-UHFFFAOYSA-N
XLogP2.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(2-fluorophenyl)methyl]-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072281
N-[(2-fluorophenyl)methyl]-3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109074623
1-N-butan-2-yl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072565
1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073984
1-N-[(2-fluorophenyl)methyl]-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076334
1-N-benzyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072584
3-N-butan-2-yl-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074006
3-N-butan-2-yl-1-N-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074026
1-N-(3-acetamidophenyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074056
1-N-(2-methoxyethyl)-3-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074975
6-N-butan-2-yl-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109094593
3-N-tert-butyl-1-N-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076227

Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-1-N-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-butan-2-yl-1-N-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109073978) is 3-N-butan-2-yl-1-N-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butan-2-yl-1-N-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-butan-2-yl-1-N-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCC(C)NC(=O)c1nc(C(=O)NCc2ccccc2F)c2n1CCCC2.
What is the InChIKey of 3-N-butan-2-yl-1-N-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is XVQCMLCMIHFTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-3-13(2)23-20(27)18-24-17(16-10-6-7-11-25(16)18)19(26)22-12-14-8-4-5-9-15(14)21/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 3-N-butan-2-yl-1-N-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-butan-2-yl-1-N-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 372.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-yl-1-N-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109073978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).