2-(1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]morpholine

C20H17F3N6O — CID 139344342

IUPAC2-(1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESFC(F)(F)c1ccc2ncc(-c3cccc(N4CCOC(c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/C20H17F3N6O/c21-20(22,23)14-4-5-18-24-10-16(29(18)11-14)15-2-1-3-19(27-15)28-6-7-30-17(12-28)13-8-25-26-9-13/h1-5,8-11,17H,6-7,12H2,(H,25,26)
InChIKeyMTZBEPGCHIIKFN-UHFFFAOYSA-N
MW414.39 g/mol
LogP3.72
Rot. Bonds3

About 2-(1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]morpholine

2-(1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]morpholine (PubChem CID 139344342) has the molecular formula C20H17F3N6O and a molecular weight of 414.39 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]morpholine
PubChem CID139344342
Molecular FormulaC20H17F3N6O
Molecular Weight414.39 g/mol
Exact Mass414.14
IUPAC Name2-(1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESFC(F)(F)c1ccc2ncc(-c3cccc(N4CCOC(c5cn[nH]c5)C4)n3)n2c1
InChIInChI=1S/C20H17F3N6O/c21-20(22,23)14-4-5-18-24-10-16(29(18)11-14)15-2-1-3-19(27-15)28-6-7-30-17(12-28)13-8-25-26-9-13/h1-5,8-11,17H,6-7,12H2,(H,25,26)
InChIKeyMTZBEPGCHIIKFN-UHFFFAOYSA-N
XLogP3.72
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 2-(1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]morpholine (CID 139344342) is 2-(1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]morpholine is FC(F)(F)c1ccc2ncc(-c3cccc(N4CCOC(c5cn[nH]c5)C4)n3)n2c1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]morpholine?
The InChIKey is MTZBEPGCHIIKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O/c21-20(22,23)14-4-5-18-24-10-16(29(18)11-14)15-2-1-3-19(27-15)28-6-7-30-17(12-28)13-8-25-26-9-13/h1-5,8-11,17H,6-7,12H2,(H,25,26).
What are the key properties of 2-(1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]morpholine?
2-(1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]morpholine has a molecular weight of 414.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)-4-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 139344342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).