[4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol

C20H17Cl2FN4O2 — CID 71199884

IUPAC[4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol
SMILESOCC1CN(c2cnc(-c3ccc(Cl)cc3F)c(-c3ccncc3Cl)n2)CCO1
InChIInChI=1S/C20H17Cl2FN4O2/c21-12-1-2-15(17(23)7-12)19-20(14-3-4-24-8-16(14)22)26-18(9-25-19)27-5-6-29-13(10-27)11-28/h1-4,7-9,13,28H,5-6,10-11H2
InChIKeyFXGKKFYWMMHKHZ-UHFFFAOYSA-N
MW435.29 g/mol
LogP3.85
Rot. Bonds4

About [4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol

[4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol (PubChem CID 71199884) has the molecular formula C20H17Cl2FN4O2 and a molecular weight of 435.29 g/mol. Its IUPAC name is [4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol
PubChem CID71199884
Molecular FormulaC20H17Cl2FN4O2
Molecular Weight435.29 g/mol
Exact Mass434.07
IUPAC Name[4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol
SMILESOCC1CN(c2cnc(-c3ccc(Cl)cc3F)c(-c3ccncc3Cl)n2)CCO1
InChIInChI=1S/C20H17Cl2FN4O2/c21-12-1-2-15(17(23)7-12)19-20(14-3-4-24-8-16(14)22)26-18(9-25-19)27-5-6-29-13(10-27)11-28/h1-4,7-9,13,28H,5-6,10-11H2
InChIKeyFXGKKFYWMMHKHZ-UHFFFAOYSA-N
XLogP3.85
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol?
The IUPAC name of [4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol (CID 71199884) is [4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol is OCC1CN(c2cnc(-c3ccc(Cl)cc3F)c(-c3ccncc3Cl)n2)CCO1.
What is the InChIKey of [4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol?
The InChIKey is FXGKKFYWMMHKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2FN4O2/c21-12-1-2-15(17(23)7-12)19-20(14-3-4-24-8-16(14)22)26-18(9-25-19)27-5-6-29-13(10-27)11-28/h1-4,7-9,13,28H,5-6,10-11H2.
What are the key properties of [4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol?
[4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol has a molecular weight of 435.29 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-chloro-2-fluorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 71199884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).