2-chloropyrazine;2,6-difluorobenzoyl chloride;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyrazin-2-yl]propan-2-one

C46H42Cl2F4N10O3 — CID 159108791

IUPAC2-chloropyrazine;2,6-difluorobenzoyl chloride;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyrazin-2-yl]propan-2-one
SMILESCC(=O)Cc1cnc(C2=C(C)CCNC2)cn1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2cnccn2)CC1.Clc1cnccn1.O=C(Cl)c1c(F)cccc1F
InChIInChI=1S/C22H19F2N5O.C13H17N3O.C7H3ClF2O.C4H3ClN2/c1-14-5-8-29(21-12-25-6-7-26-21)13-16(14)19-11-27-15(10-28-19)9-20(30)22-17(23)3-2-4-18(22)24;1-9-3-4-14-7-12(9)13-8-15-11(6-16-13)5-10(2)17;8-7(11)6-4(9)2-1-3-5(6)10;5-4-3-6-1-2-7-4/h2-4,6-7,10-12H,5,8-9,13H2,1H3;6,8,14H,3-5,7H2,1-2H3;1-3H;1-3H
InChIKeyKEFINDDITZPEBB-UHFFFAOYSA-N
MW929.81 g/mol
LogP8.50
Rot. Bonds9

About 2-chloropyrazine;2,6-difluorobenzoyl chloride;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyrazin-2-yl]propan-2-one

2-chloropyrazine;2,6-difluorobenzoyl chloride;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyrazin-2-yl]propan-2-one (PubChem CID 159108791) has the molecular formula C46H42Cl2F4N10O3 and a molecular weight of 929.81 g/mol. Its IUPAC name is 2-chloropyrazine;2,6-difluorobenzoyl chloride;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyrazin-2-yl]propan-2-one.

Molecular Properties

Compound Name2-chloropyrazine;2,6-difluorobenzoyl chloride;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyrazin-2-yl]propan-2-one
PubChem CID159108791
Molecular FormulaC46H42Cl2F4N10O3
Molecular Weight929.81 g/mol
Exact Mass928.28
IUPAC Name2-chloropyrazine;2,6-difluorobenzoyl chloride;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyrazin-2-yl]propan-2-one
SMILESCC(=O)Cc1cnc(C2=C(C)CCNC2)cn1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2cnccn2)CC1.Clc1cnccn1.O=C(Cl)c1c(F)cccc1F
InChIInChI=1S/C22H19F2N5O.C13H17N3O.C7H3ClF2O.C4H3ClN2/c1-14-5-8-29(21-12-25-6-7-26-21)13-16(14)19-11-27-15(10-28-19)9-20(30)22-17(23)3-2-4-18(22)24;1-9-3-4-14-7-12(9)13-8-15-11(6-16-13)5-10(2)17;8-7(11)6-4(9)2-1-3-5(6)10;5-4-3-6-1-2-7-4/h2-4,6-7,10-12H,5,8-9,13H2,1H3;6,8,14H,3-5,7H2,1-2H3;1-3H;1-3H
InChIKeyKEFINDDITZPEBB-UHFFFAOYSA-N
XLogP8.50
TPSA169.60 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500929.81
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 2-chloropyrazine;2,6-difluorobenzoyl chloride;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyrazin-2-yl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloropyrazine;2,6-difluorobenzoyl chloride;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyrazin-2-yl]propan-2-one?
The IUPAC name of 2-chloropyrazine;2,6-difluorobenzoyl chloride;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyrazin-2-yl]propan-2-one (CID 159108791) is 2-chloropyrazine;2,6-difluorobenzoyl chloride;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyrazin-2-yl]propan-2-one.
What is the SMILES notation for 2-chloropyrazine;2,6-difluorobenzoyl chloride;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyrazin-2-yl]propan-2-one?
The canonical SMILES for 2-chloropyrazine;2,6-difluorobenzoyl chloride;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyrazin-2-yl]propan-2-one is CC(=O)Cc1cnc(C2=C(C)CCNC2)cn1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2cnccn2)CC1.Clc1cnccn1.O=C(Cl)c1c(F)cccc1F.
What is the InChIKey of 2-chloropyrazine;2,6-difluorobenzoyl chloride;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyrazin-2-yl]propan-2-one?
The InChIKey is KEFINDDITZPEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O.C13H17N3O.C7H3ClF2O.C4H3ClN2/c1-14-5-8-29(21-12-25-6-7-26-21)13-16(14)19-11-27-15(10-28-19)9-20(30)22-17(23)3-2-4-18(22)24;1-9-3-4-14-7-12(9)13-8-15-11(6-16-13)5-10(2)17;8-7(11)6-4(9)2-1-3-5(6)10;5-4-3-6-1-2-7-4/h2-4,6-7,10-12H,5,8-9,13H2,1H3;6,8,14H,3-5,7H2,1-2H3;1-3H;1-3H.
What are the key properties of 2-chloropyrazine;2,6-difluorobenzoyl chloride;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyrazin-2-yl]propan-2-one?
2-chloropyrazine;2,6-difluorobenzoyl chloride;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyrazin-2-yl]propan-2-one has a molecular weight of 929.81 g/mol, XLogP of 8.50, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyrazine;2,6-difluorobenzoyl chloride;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)pyrazin-2-yl]propan-2-one is sourced from PubChem (CID 159108791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).