3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C20H20F3N5O3 — CID 167966415

IUPAC3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCc1nc(C(NC(=O)C2CCn3c(cnc3C)C2)c2ccccc2OC(F)(F)F)no1
InChIInChI=1S/C20H20F3N5O3/c1-11-24-10-14-9-13(7-8-28(11)14)19(29)26-17(18-25-12(2)31-27-18)15-5-3-4-6-16(15)30-20(21,22)23/h3-6,10,13,17H,7-9H2,1-2H3,(H,26,29)
InChIKeyPJAWRJAZFIKEFX-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.25
Rot. Bonds5

About 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 167966415) has the molecular formula C20H20F3N5O3 and a molecular weight of 435.41 g/mol. Its IUPAC name is 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID167966415
Molecular FormulaC20H20F3N5O3
Molecular Weight435.41 g/mol
Exact Mass435.15
IUPAC Name3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCc1nc(C(NC(=O)C2CCn3c(cnc3C)C2)c2ccccc2OC(F)(F)F)no1
InChIInChI=1S/C20H20F3N5O3/c1-11-24-10-14-9-13(7-8-28(11)14)19(29)26-17(18-25-12(2)31-27-18)15-5-3-4-6-16(15)30-20(21,22)23/h3-6,10,13,17H,7-9H2,1-2H3,(H,26,29)
InChIKeyPJAWRJAZFIKEFX-UHFFFAOYSA-N
XLogP3.25
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 167966415) is 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is Cc1nc(C(NC(=O)C2CCn3c(cnc3C)C2)c2ccccc2OC(F)(F)F)no1.
What is the InChIKey of 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is PJAWRJAZFIKEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3/c1-11-24-10-14-9-13(7-8-28(11)14)19(29)26-17(18-25-12(2)31-27-18)15-5-3-4-6-16(15)30-20(21,22)23/h3-6,10,13,17H,7-9H2,1-2H3,(H,26,29).
What are the key properties of 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 435.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 167966415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).