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

C20H18Cl2N4O2 — CID 71199820

IUPAC[4-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol
SMILESOCC1CN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccncc3Cl)n2)CCO1
InChIInChI=1S/C20H18Cl2N4O2/c21-14-3-1-13(2-4-14)19-20(16-5-6-23-9-17(16)22)25-18(10-24-19)26-7-8-28-15(11-26)12-27/h1-6,9-10,15,27H,7-8,11-12H2
InChIKeyCASIDROGQBSHRD-UHFFFAOYSA-N
MW417.30 g/mol
LogP3.71
Rot. Bonds4

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

[4-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol (PubChem CID 71199820) has the molecular formula C20H18Cl2N4O2 and a molecular weight of 417.30 g/mol. Its IUPAC name is [4-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol
PubChem CID71199820
Molecular FormulaC20H18Cl2N4O2
Molecular Weight417.30 g/mol
Exact Mass416.08
IUPAC Name[4-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol
SMILESOCC1CN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccncc3Cl)n2)CCO1
InChIInChI=1S/C20H18Cl2N4O2/c21-14-3-1-13(2-4-14)19-20(16-5-6-23-9-17(16)22)25-18(10-24-19)26-7-8-28-15(11-26)12-27/h1-6,9-10,15,27H,7-8,11-12H2
InChIKeyCASIDROGQBSHRD-UHFFFAOYSA-N
XLogP3.71
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol?
The IUPAC name of [4-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol (CID 71199820) is [4-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol is OCC1CN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccncc3Cl)n2)CCO1.
What is the InChIKey of [4-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol?
The InChIKey is CASIDROGQBSHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2/c21-14-3-1-13(2-4-14)19-20(16-5-6-23-9-17(16)22)25-18(10-24-19)26-7-8-28-15(11-26)12-27/h1-6,9-10,15,27H,7-8,11-12H2.
What are the key properties of [4-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol?
[4-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol has a molecular weight of 417.30 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 71199820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).