N-(3,4-dihydro-2H-chromen-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C18H18F3N3O2 — CID 166652030

IUPACN-(3,4-dihydro-2H-chromen-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC1COc2ccccc2C1)c1cn2c(n1)CCC(C(F)(F)F)C2
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)12-5-6-16-23-14(9-24(16)8-12)17(25)22-13-7-11-3-1-2-4-15(11)26-10-13/h1-4,9,12-13H,5-8,10H2,(H,22,25)
InChIKeyUQQHKTSTDWLMDL-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.74
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

N-(3,4-dihydro-2H-chromen-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 166652030) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID166652030
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC1COc2ccccc2C1)c1cn2c(n1)CCC(C(F)(F)F)C2
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)12-5-6-16-23-14(9-24(16)8-12)17(25)22-13-7-11-3-1-2-4-15(11)26-10-13/h1-4,9,12-13H,5-8,10H2,(H,22,25)
InChIKeyUQQHKTSTDWLMDL-UHFFFAOYSA-N
XLogP2.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 166652030) is N-(3,4-dihydro-2H-chromen-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is O=C(NC1COc2ccccc2C1)c1cn2c(n1)CCC(C(F)(F)F)C2.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is UQQHKTSTDWLMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)12-5-6-16-23-14(9-24(16)8-12)17(25)22-13-7-11-3-1-2-4-15(11)26-10-13/h1-4,9,12-13H,5-8,10H2,(H,22,25).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
N-(3,4-dihydro-2H-chromen-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 166652030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).