[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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Related Compounds

1-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidine-3-carboxamide
CID 71199862
2-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-3-yl]acetonitrile
CID 71199912
1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-methylphenyl)pyrazin-2-yl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 143313537
3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine
CID 143313116
[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]methanol
CID 143313324
8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 69173570
2-amino-1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]butan-1-ol
CID 143313538
3-(3-chloro-4-pyridinyl)-5-(4,4-difluoropiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]pyrazine
CID 89365417
(2R)-1-[[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]amino]-3-methoxypropan-2-ol
CID 143313142
1-[4-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-2-ethoxyethanone
CID 143313745
2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine
CID 81209519
[4-[6-(3-chloro-4-pyridinyl)-5-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]piperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 143313220

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).