6-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide

C14H19F3N4O2 — CID 155871540

IUPAC6-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
SMILESCC(C)NC(=O)C1CCc2c(C(=O)NCC(F)(F)F)ncn2C1
InChIInChI=1S/C14H19F3N4O2/c1-8(2)20-12(22)9-3-4-10-11(19-7-21(10)5-9)13(23)18-6-14(15,16)17/h7-9H,3-6H2,1-2H3,(H,18,23)(H,20,22)
InChIKeyJUNKUWJZSWHQJP-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.26
Rot. Bonds4

About 6-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide

6-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide (PubChem CID 155871540) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 6-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide.

Molecular Properties

Compound Name6-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
PubChem CID155871540
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name6-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
SMILESCC(C)NC(=O)C1CCc2c(C(=O)NCC(F)(F)F)ncn2C1
InChIInChI=1S/C14H19F3N4O2/c1-8(2)20-12(22)9-3-4-10-11(19-7-21(10)5-9)13(23)18-6-14(15,16)17/h7-9H,3-6H2,1-2H3,(H,18,23)(H,20,22)
InChIKeyJUNKUWJZSWHQJP-UHFFFAOYSA-N
XLogP1.26
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
The IUPAC name of 6-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide (CID 155871540) is 6-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide.
What is the SMILES notation for 6-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
The canonical SMILES for 6-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide is CC(C)NC(=O)C1CCc2c(C(=O)NCC(F)(F)F)ncn2C1.
What is the InChIKey of 6-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
The InChIKey is JUNKUWJZSWHQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-8(2)20-12(22)9-3-4-10-11(19-7-21(10)5-9)13(23)18-6-14(15,16)17/h7-9H,3-6H2,1-2H3,(H,18,23)(H,20,22).
What are the key properties of 6-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
6-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide has a molecular weight of 332.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide is sourced from PubChem (CID 155871540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).