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

C20H24F2N4O2 — CID 109077042

IUPAC1-N-(3,4-difluorophenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)CCNC(=O)c1nc(C(=O)Nc2ccc(F)c(F)c2)c2n1CCCC2
InChIInChI=1S/C20H24F2N4O2/c1-12(2)8-9-23-20(28)18-25-17(16-5-3-4-10-26(16)18)19(27)24-13-6-7-14(21)15(22)11-13/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyMWBPACZZTYLZBB-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.53
Rot. Bonds6

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

1-N-(3,4-difluorophenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109077042) has the molecular formula C20H24F2N4O2 and a molecular weight of 390.43 g/mol. Its IUPAC name is 1-N-(3,4-difluorophenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,4-difluorophenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109077042
Molecular FormulaC20H24F2N4O2
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC Name1-N-(3,4-difluorophenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)CCNC(=O)c1nc(C(=O)Nc2ccc(F)c(F)c2)c2n1CCCC2
InChIInChI=1S/C20H24F2N4O2/c1-12(2)8-9-23-20(28)18-25-17(16-5-3-4-10-26(16)18)19(27)24-13-6-7-14(21)15(22)11-13/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyMWBPACZZTYLZBB-UHFFFAOYSA-N
XLogP3.53
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-difluorophenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3,4-difluorophenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109077042) is 1-N-(3,4-difluorophenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3,4-difluorophenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3,4-difluorophenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(C)CCNC(=O)c1nc(C(=O)Nc2ccc(F)c(F)c2)c2n1CCCC2.
What is the InChIKey of 1-N-(3,4-difluorophenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is MWBPACZZTYLZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O2/c1-12(2)8-9-23-20(28)18-25-17(16-5-3-4-10-26(16)18)19(27)24-13-6-7-14(21)15(22)11-13/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 1-N-(3,4-difluorophenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(3,4-difluorophenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 390.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-difluorophenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109077042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).