N-[8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C21H21F3N4O3 — CID 154655696

IUPACN-[8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc(NC(=O)c2cccc(C(F)(F)F)n2)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C21H21F3N4O3/c1-2-31-17-10-14(25-20(29)15-4-3-5-18(26-15)21(22,23)24)11-28-12-16(27-19(17)28)13-6-8-30-9-7-13/h3-5,10-13H,2,6-9H2,1H3,(H,25,29)
InChIKeyGJWQSIDHVMLOOH-UHFFFAOYSA-N
MW434.42 g/mol
LogP4.29
Rot. Bonds5

About N-[8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 154655696) has the molecular formula C21H21F3N4O3 and a molecular weight of 434.42 g/mol. Its IUPAC name is N-[8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID154655696
Molecular FormulaC21H21F3N4O3
Molecular Weight434.42 g/mol
Exact Mass434.16
IUPAC NameN-[8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc(NC(=O)c2cccc(C(F)(F)F)n2)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C21H21F3N4O3/c1-2-31-17-10-14(25-20(29)15-4-3-5-18(26-15)21(22,23)24)11-28-12-16(27-19(17)28)13-6-8-30-9-7-13/h3-5,10-13H,2,6-9H2,1H3,(H,25,29)
InChIKeyGJWQSIDHVMLOOH-UHFFFAOYSA-N
XLogP4.29
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 154655696) is N-[8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CCOc1cc(NC(=O)c2cccc(C(F)(F)F)n2)cn2cc(C3CCOCC3)nc12.
What is the InChIKey of N-[8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is GJWQSIDHVMLOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O3/c1-2-31-17-10-14(25-20(29)15-4-3-5-18(26-15)21(22,23)24)11-28-12-16(27-19(17)28)13-6-8-30-9-7-13/h3-5,10-13H,2,6-9H2,1H3,(H,25,29).
What are the key properties of N-[8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 434.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154655696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).