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

C20H24F2N4O2 — CID 109076990

IUPAC3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)CCNC(=O)c1nc(C(=O)Nc2c(F)cccc2F)n2c1CCCC2
InChIInChI=1S/C20H24F2N4O2/c1-12(2)9-10-23-19(27)17-15-8-3-4-11-26(15)18(24-17)20(28)25-16-13(21)6-5-7-14(16)22/h5-7,12H,3-4,8-11H2,1-2H3,(H,23,27)(H,25,28)
InChIKeyBKQJZCKOKWTCLZ-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.53
Rot. Bonds6

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

3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109076990) has the molecular formula C20H24F2N4O2 and a molecular weight of 390.43 g/mol. Its IUPAC name is 3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109076990
Molecular FormulaC20H24F2N4O2
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC Name3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)CCNC(=O)c1nc(C(=O)Nc2c(F)cccc2F)n2c1CCCC2
InChIInChI=1S/C20H24F2N4O2/c1-12(2)9-10-23-19(27)17-15-8-3-4-11-26(15)18(24-17)20(28)25-16-13(21)6-5-7-14(16)22/h5-7,12H,3-4,8-11H2,1-2H3,(H,23,27)(H,25,28)
InChIKeyBKQJZCKOKWTCLZ-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 3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109076990) is 3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(C)CCNC(=O)c1nc(C(=O)Nc2c(F)cccc2F)n2c1CCCC2.
What is the InChIKey of 3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is BKQJZCKOKWTCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O2/c1-12(2)9-10-23-19(27)17-15-8-3-4-11-26(15)18(24-17)20(28)25-16-13(21)6-5-7-14(16)22/h5-7,12H,3-4,8-11H2,1-2H3,(H,23,27)(H,25,28).
What are the key properties of 3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(2,6-difluorophenyl)-1-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 3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109076990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).