N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanamide

C20H14ClF3N6O2 — CID 164834397

IUPACN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanamide
SMILESCC(Oc1ccc(-c2cnc3cnccn23)cn1)C(=O)Nc1cc(C(F)(F)F)c(Cl)cn1
InChIInChI=1S/C20H14ClF3N6O2/c1-11(19(31)29-16-6-13(20(22,23)24)14(21)8-26-16)32-18-3-2-12(7-28-18)15-9-27-17-10-25-4-5-30(15)17/h2-11H,1H3,(H,26,29,31)
InChIKeyZUEISUCDHSVZGG-UHFFFAOYSA-N
MW462.82 g/mol
LogP4.26
Rot. Bonds5

About N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanamide

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanamide (PubChem CID 164834397) has the molecular formula C20H14ClF3N6O2 and a molecular weight of 462.82 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanamide.

Molecular Properties

Compound NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanamide
PubChem CID164834397
Molecular FormulaC20H14ClF3N6O2
Molecular Weight462.82 g/mol
Exact Mass462.08
IUPAC NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanamide
SMILESCC(Oc1ccc(-c2cnc3cnccn23)cn1)C(=O)Nc1cc(C(F)(F)F)c(Cl)cn1
InChIInChI=1S/C20H14ClF3N6O2/c1-11(19(31)29-16-6-13(20(22,23)24)14(21)8-26-16)32-18-3-2-12(7-28-18)15-9-27-17-10-25-4-5-30(15)17/h2-11H,1H3,(H,26,29,31)
InChIKeyZUEISUCDHSVZGG-UHFFFAOYSA-N
XLogP4.26
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.82
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanamide?
The IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanamide (CID 164834397) is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanamide.
What is the SMILES notation for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanamide?
The canonical SMILES for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanamide is CC(Oc1ccc(-c2cnc3cnccn23)cn1)C(=O)Nc1cc(C(F)(F)F)c(Cl)cn1.
What is the InChIKey of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanamide?
The InChIKey is ZUEISUCDHSVZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N6O2/c1-11(19(31)29-16-6-13(20(22,23)24)14(21)8-26-16)32-18-3-2-12(7-28-18)15-9-27-17-10-25-4-5-30(15)17/h2-11H,1H3,(H,26,29,31).
What are the key properties of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanamide?
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanamide has a molecular weight of 462.82 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]propanamide is sourced from PubChem (CID 164834397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).