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

C16H21F3N4O2 — CID 155871885

IUPAC6-N-cyclopentyl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
SMILESO=C(NCC(F)(F)F)c1ncn2c1CCC(C(=O)NC1CCCC1)C2
InChIInChI=1S/C16H21F3N4O2/c17-16(18,19)8-20-15(25)13-12-6-5-10(7-23(12)9-21-13)14(24)22-11-3-1-2-4-11/h9-11H,1-8H2,(H,20,25)(H,22,24)
InChIKeyIFLMJTVJVHEQJN-UHFFFAOYSA-N
MW358.36 g/mol
LogP1.80
Rot. Bonds4

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

6-N-cyclopentyl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide (PubChem CID 155871885) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is 6-N-cyclopentyl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cyclopentyl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
PubChem CID155871885
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC Name6-N-cyclopentyl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
SMILESO=C(NCC(F)(F)F)c1ncn2c1CCC(C(=O)NC1CCCC1)C2
InChIInChI=1S/C16H21F3N4O2/c17-16(18,19)8-20-15(25)13-12-6-5-10(7-23(12)9-21-13)14(24)22-11-3-1-2-4-11/h9-11H,1-8H2,(H,20,25)(H,22,24)
InChIKeyIFLMJTVJVHEQJN-UHFFFAOYSA-N
XLogP1.80
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
The IUPAC name of 6-N-cyclopentyl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide (CID 155871885) is 6-N-cyclopentyl-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-cyclopentyl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
The canonical SMILES for 6-N-cyclopentyl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide is O=C(NCC(F)(F)F)c1ncn2c1CCC(C(=O)NC1CCCC1)C2.
What is the InChIKey of 6-N-cyclopentyl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
The InChIKey is IFLMJTVJVHEQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O2/c17-16(18,19)8-20-15(25)13-12-6-5-10(7-23(12)9-21-13)14(24)22-11-3-1-2-4-11/h9-11H,1-8H2,(H,20,25)(H,22,24).
What are the key properties of 6-N-cyclopentyl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
6-N-cyclopentyl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide has a molecular weight of 358.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-1-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide is sourced from PubChem (CID 155871885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).