6-[6-[2-[2-[4-chloro-3-(3,4-dichloro-2-pyridinyl)-5-methyl-2-pyridinyl]-3-fluoro-4-pyridinyl]-3-cyano-4-pyridinyl]-4-cyano-5-methyl-3-pyridinyl]-2-(3-methoxy-2-pyridinyl)-4,5-dimethylpyridine-3-carbonitrile

C43H26Cl3FN10O — CID 123807704

IUPAC6-[6-[2-[2-[4-chloro-3-(3,4-dichloro-2-pyridinyl)-5-methyl-2-pyridinyl]-3-fluoro-4-pyridinyl]-3-cyano-4-pyridinyl]-4-cyano-5-methyl-3-pyridinyl]-2-(3-methoxy-2-pyridinyl)-4,5-dimethylpyridine-3-carbonitrile
SMILESCOc1cccnc1-c1nc(-c2cnc(-c3ccnc(-c4ccnc(-c5ncc(C)c(Cl)c5-c5nccc(Cl)c5Cl)c4F)c3C#N)c(C)c2C#N)c(C)c(C)c1C#N
InChIInChI=1S/C43H26Cl3FN10O/c1-20-18-55-42(32(33(20)45)41-34(46)30(44)10-14-53-41)43-35(47)25(9-13-54-43)38-28(17-50)24(8-12-52-38)36-23(4)26(15-48)29(19-56-36)37-22(3)21(2)27(16-49)39(57-37)40-31(58-5)7-6-11-51-40/h6-14,18-19H,1-5H3
InChIKeyQFHJMFNPBISEDP-UHFFFAOYSA-N
MW824.11 g/mol
LogP10.41
Rot. Bonds7

About 6-[6-[2-[2-[4-chloro-3-(3,4-dichloro-2-pyridinyl)-5-methyl-2-pyridinyl]-3-fluoro-4-pyridinyl]-3-cyano-4-pyridinyl]-4-cyano-5-methyl-3-pyridinyl]-2-(3-methoxy-2-pyridinyl)-4,5-dimethylpyridine-3-carbonitrile

6-[6-[2-[2-[4-chloro-3-(3,4-dichloro-2-pyridinyl)-5-methyl-2-pyridinyl]-3-fluoro-4-pyridinyl]-3-cyano-4-pyridinyl]-4-cyano-5-methyl-3-pyridinyl]-2-(3-methoxy-2-pyridinyl)-4,5-dimethylpyridine-3-carbonitrile (PubChem CID 123807704) has the molecular formula C43H26Cl3FN10O and a molecular weight of 824.11 g/mol. Its IUPAC name is 6-[6-[2-[2-[4-chloro-3-(3,4-dichloro-2-pyridinyl)-5-methyl-2-pyridinyl]-3-fluoro-4-pyridinyl]-3-cyano-4-pyridinyl]-4-cyano-5-methyl-3-pyridinyl]-2-(3-methoxy-2-pyridinyl)-4,5-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[6-[2-[2-[4-chloro-3-(3,4-dichloro-2-pyridinyl)-5-methyl-2-pyridinyl]-3-fluoro-4-pyridinyl]-3-cyano-4-pyridinyl]-4-cyano-5-methyl-3-pyridinyl]-2-(3-methoxy-2-pyridinyl)-4,5-dimethylpyridine-3-carbonitrile
PubChem CID123807704
Molecular FormulaC43H26Cl3FN10O
Molecular Weight824.11 g/mol
Exact Mass822.13
IUPAC Name6-[6-[2-[2-[4-chloro-3-(3,4-dichloro-2-pyridinyl)-5-methyl-2-pyridinyl]-3-fluoro-4-pyridinyl]-3-cyano-4-pyridinyl]-4-cyano-5-methyl-3-pyridinyl]-2-(3-methoxy-2-pyridinyl)-4,5-dimethylpyridine-3-carbonitrile
SMILESCOc1cccnc1-c1nc(-c2cnc(-c3ccnc(-c4ccnc(-c5ncc(C)c(Cl)c5-c5nccc(Cl)c5Cl)c4F)c3C#N)c(C)c2C#N)c(C)c(C)c1C#N
InChIInChI=1S/C43H26Cl3FN10O/c1-20-18-55-42(32(33(20)45)41-34(46)30(44)10-14-53-41)43-35(47)25(9-13-54-43)38-28(17-50)24(8-12-52-38)36-23(4)26(15-48)29(19-56-36)37-22(3)21(2)27(16-49)39(57-37)40-31(58-5)7-6-11-51-40/h6-14,18-19H,1-5H3
InChIKeyQFHJMFNPBISEDP-UHFFFAOYSA-N
XLogP10.41
TPSA170.83 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500824.11
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 6-[6-[2-[2-[4-chloro-3-(3,4-dichloro-2-pyridinyl)-5-methyl-2-pyridinyl]-3-fluoro-4-pyridinyl]-3-cyano-4-pyridinyl]-4-cyano-5-methyl-3-pyridinyl]-2-(3-methoxy-2-pyridinyl)-4,5-dimethylpyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[2-[2-[4-chloro-3-(3,4-dichloro-2-pyridinyl)-5-methyl-2-pyridinyl]-3-fluoro-4-pyridinyl]-3-cyano-4-pyridinyl]-4-cyano-5-methyl-3-pyridinyl]-2-(3-methoxy-2-pyridinyl)-4,5-dimethylpyridine-3-carbonitrile?
The IUPAC name of 6-[6-[2-[2-[4-chloro-3-(3,4-dichloro-2-pyridinyl)-5-methyl-2-pyridinyl]-3-fluoro-4-pyridinyl]-3-cyano-4-pyridinyl]-4-cyano-5-methyl-3-pyridinyl]-2-(3-methoxy-2-pyridinyl)-4,5-dimethylpyridine-3-carbonitrile (CID 123807704) is 6-[6-[2-[2-[4-chloro-3-(3,4-dichloro-2-pyridinyl)-5-methyl-2-pyridinyl]-3-fluoro-4-pyridinyl]-3-cyano-4-pyridinyl]-4-cyano-5-methyl-3-pyridinyl]-2-(3-methoxy-2-pyridinyl)-4,5-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[6-[2-[2-[4-chloro-3-(3,4-dichloro-2-pyridinyl)-5-methyl-2-pyridinyl]-3-fluoro-4-pyridinyl]-3-cyano-4-pyridinyl]-4-cyano-5-methyl-3-pyridinyl]-2-(3-methoxy-2-pyridinyl)-4,5-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 6-[6-[2-[2-[4-chloro-3-(3,4-dichloro-2-pyridinyl)-5-methyl-2-pyridinyl]-3-fluoro-4-pyridinyl]-3-cyano-4-pyridinyl]-4-cyano-5-methyl-3-pyridinyl]-2-(3-methoxy-2-pyridinyl)-4,5-dimethylpyridine-3-carbonitrile is COc1cccnc1-c1nc(-c2cnc(-c3ccnc(-c4ccnc(-c5ncc(C)c(Cl)c5-c5nccc(Cl)c5Cl)c4F)c3C#N)c(C)c2C#N)c(C)c(C)c1C#N.
What is the InChIKey of 6-[6-[2-[2-[4-chloro-3-(3,4-dichloro-2-pyridinyl)-5-methyl-2-pyridinyl]-3-fluoro-4-pyridinyl]-3-cyano-4-pyridinyl]-4-cyano-5-methyl-3-pyridinyl]-2-(3-methoxy-2-pyridinyl)-4,5-dimethylpyridine-3-carbonitrile?
The InChIKey is QFHJMFNPBISEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26Cl3FN10O/c1-20-18-55-42(32(33(20)45)41-34(46)30(44)10-14-53-41)43-35(47)25(9-13-54-43)38-28(17-50)24(8-12-52-38)36-23(4)26(15-48)29(19-56-36)37-22(3)21(2)27(16-49)39(57-37)40-31(58-5)7-6-11-51-40/h6-14,18-19H,1-5H3.
What are the key properties of 6-[6-[2-[2-[4-chloro-3-(3,4-dichloro-2-pyridinyl)-5-methyl-2-pyridinyl]-3-fluoro-4-pyridinyl]-3-cyano-4-pyridinyl]-4-cyano-5-methyl-3-pyridinyl]-2-(3-methoxy-2-pyridinyl)-4,5-dimethylpyridine-3-carbonitrile?
6-[6-[2-[2-[4-chloro-3-(3,4-dichloro-2-pyridinyl)-5-methyl-2-pyridinyl]-3-fluoro-4-pyridinyl]-3-cyano-4-pyridinyl]-4-cyano-5-methyl-3-pyridinyl]-2-(3-methoxy-2-pyridinyl)-4,5-dimethylpyridine-3-carbonitrile has a molecular weight of 824.11 g/mol, XLogP of 10.41, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[2-[2-[4-chloro-3-(3,4-dichloro-2-pyridinyl)-5-methyl-2-pyridinyl]-3-fluoro-4-pyridinyl]-3-cyano-4-pyridinyl]-4-cyano-5-methyl-3-pyridinyl]-2-(3-methoxy-2-pyridinyl)-4,5-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 123807704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).