N-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C11H14F3N3O — CID 112527766

IUPACN-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESO=C(NCCC(F)(F)F)C1CCn2cncc2C1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)2-3-16-10(18)8-1-4-17-7-15-6-9(17)5-8/h6-8H,1-5H2,(H,16,18)
InChIKeySETPFSXAXYVNSB-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.51
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

N-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 112527766) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID112527766
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESO=C(NCCC(F)(F)F)C1CCn2cncc2C1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)2-3-16-10(18)8-1-4-17-7-15-6-9(17)5-8/h6-8H,1-5H2,(H,16,18)
InChIKeySETPFSXAXYVNSB-UHFFFAOYSA-N
XLogP1.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 112527766) is N-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is O=C(NCCC(F)(F)F)C1CCn2cncc2C1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is SETPFSXAXYVNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)2-3-16-10(18)8-1-4-17-7-15-6-9(17)5-8/h6-8H,1-5H2,(H,16,18).
What are the key properties of N-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
N-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 261.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 112527766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).