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

C15H14F3N3O2 — CID 53167891

IUPACN-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1cn2c(n1)CCCC2
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-5-3-4-10(8-11)19-14(22)12-9-21-7-2-1-6-13(21)20-12/h3-5,8-9H,1-2,6-7H2,(H,19,22)
InChIKeyTXNSHSSHWUNVOX-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.37
Rot. Bonds3

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

N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 53167891) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID53167891
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC NameN-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1cn2c(n1)CCCC2
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-5-3-4-10(8-11)19-14(22)12-9-21-7-2-1-6-13(21)20-12/h3-5,8-9H,1-2,6-7H2,(H,19,22)
InChIKeyTXNSHSSHWUNVOX-UHFFFAOYSA-N
XLogP3.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 53167891) is N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1cn2c(n1)CCCC2.
What is the InChIKey of N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is TXNSHSSHWUNVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-5-3-4-10(8-11)19-14(22)12-9-21-7-2-1-6-13(21)20-12/h3-5,8-9H,1-2,6-7H2,(H,19,22).
What are the key properties of N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 53167891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).