3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C21H26F2N4O2 — CID 66660457

IUPAC3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCNC(=O)C(NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1CCCC2)C(C)(C)C
InChIInChI=1S/C21H26F2N4O2/c1-21(2,3)17(20(29)24-4)26-19(28)16-15-7-5-6-10-27(15)18(25-16)12-8-9-13(22)14(23)11-12/h8-9,11,17H,5-7,10H2,1-4H3,(H,24,29)(H,26,28)
InChIKeyXOZSQOZXORGOEV-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.06
Rot. Bonds4

About 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 66660457) has the molecular formula C21H26F2N4O2 and a molecular weight of 404.46 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID66660457
Molecular FormulaC21H26F2N4O2
Molecular Weight404.46 g/mol
Exact Mass404.20
IUPAC Name3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCNC(=O)C(NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1CCCC2)C(C)(C)C
InChIInChI=1S/C21H26F2N4O2/c1-21(2,3)17(20(29)24-4)26-19(28)16-15-7-5-6-10-27(15)18(25-16)12-8-9-13(22)14(23)11-12/h8-9,11,17H,5-7,10H2,1-4H3,(H,24,29)(H,26,28)
InChIKeyXOZSQOZXORGOEV-UHFFFAOYSA-N
XLogP3.06
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 66660457) is 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is CNC(=O)C(NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1CCCC2)C(C)(C)C.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is XOZSQOZXORGOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O2/c1-21(2,3)17(20(29)24-4)26-19(28)16-15-7-5-6-10-27(15)18(25-16)12-8-9-13(22)14(23)11-12/h8-9,11,17H,5-7,10H2,1-4H3,(H,24,29)(H,26,28).
What are the key properties of 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 404.46 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 66660457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).