3-[3-(7-chloro-1H-indazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-7-(4-fluorophenyl)-2-methylidene-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridine;6-[3-chloro-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-phenyl-1H-1,8-naphthyridine

C114H94Cl5F2N17O8S4 — CID 163812996

IUPAC3-[3-(7-chloro-1H-indazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-7-(4-fluorophenyl)-2-methylidene-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridine;6-[3-chloro-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-phenyl-1H-1,8-naphthyridine
SMILESC=C1C=Cc2cc(-c3cc(C)c(CS(C)(=O)=O)c(Cl)c3)c(-c3ccc(F)cc3)nc2N1.C=C1C=Cc2cc(-c3cc(C)c(CS(C)(=O)=O)c(Cl)c3)c(-c3ccn(C)n3)nc2N1.C=C1C=Cc2cc(-c3cc(C)c(CS(C)(=O)=O)c(Cl)c3)c(-n3ccc(C)n3)nc2N1.C=C1C=Cc2cc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3cccc(C#N)c3F)nc2N1.C=C1C=Cc2cc(-c3ccc(CS(C)(=O)=O)c(Cl)c3)c(-c3ccccc3)nc2N1
InChIInChI=1S/C24H20ClFN2O2S.C23H13ClFN5.C23H19ClN2O2S.2C22H21ClN4O2S/c1-14-10-18(12-22(25)21(14)13-31(3,29)30)20-11-17-5-4-15(2)27-24(17)28-23(20)16-6-8-19(26)9-7-16;1-12-5-6-13-8-18(15-7-16-11-27-30-21(16)19(24)9-15)22(29-23(13)28-12)17-4-2-3-14(10-26)20(17)25;1-15-8-9-18-12-20(17-10-11-19(21(24)13-17)14-29(2,27)28)22(26-23(18)25-15)16-6-4-3-5-7-16;1-13-9-16(11-19(23)18(13)12-30(4,28)29)17-10-15-6-5-14(2)24-22(15)25-21(17)20-7-8-27(3)26-20;1-13-9-17(11-20(23)19(13)12-30(4,28)29)18-10-16-6-5-14(2)24-21(16)25-22(18)27-8-7-15(3)26-27/h4-12H,2,13H2,1,3H3,(H,27,28);2-9,11H,1H2,(H,27,30)(H,28,29);3-13H,1,14H2,2H3,(H,25,26);2*5-11H,2,12H2,1,3-4H3,(H,24,25)
InChIKeyNOWWBAHZHMMBMG-UHFFFAOYSA-N
MW2173.65 g/mol
LogP26.80
Rot. Bonds18

About 3-[3-(7-chloro-1H-indazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-7-(4-fluorophenyl)-2-methylidene-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridine;6-[3-chloro-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-phenyl-1H-1,8-naphthyridine

3-[3-(7-chloro-1H-indazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-7-(4-fluorophenyl)-2-methylidene-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridine;6-[3-chloro-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-phenyl-1H-1,8-naphthyridine (PubChem CID 163812996) has the molecular formula C114H94Cl5F2N17O8S4 and a molecular weight of 2173.65 g/mol. Its IUPAC name is 3-[3-(7-chloro-1H-indazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-7-(4-fluorophenyl)-2-methylidene-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridine;6-[3-chloro-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-phenyl-1H-1,8-naphthyridine.

Molecular Properties

Compound Name3-[3-(7-chloro-1H-indazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-7-(4-fluorophenyl)-2-methylidene-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridine;6-[3-chloro-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-phenyl-1H-1,8-naphthyridine
PubChem CID163812996
Molecular FormulaC114H94Cl5F2N17O8S4
Molecular Weight2173.65 g/mol
Exact Mass2169.48
IUPAC Name3-[3-(7-chloro-1H-indazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-7-(4-fluorophenyl)-2-methylidene-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridine;6-[3-chloro-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-phenyl-1H-1,8-naphthyridine
SMILESC=C1C=Cc2cc(-c3cc(C)c(CS(C)(=O)=O)c(Cl)c3)c(-c3ccc(F)cc3)nc2N1.C=C1C=Cc2cc(-c3cc(C)c(CS(C)(=O)=O)c(Cl)c3)c(-c3ccn(C)n3)nc2N1.C=C1C=Cc2cc(-c3cc(C)c(CS(C)(=O)=O)c(Cl)c3)c(-n3ccc(C)n3)nc2N1.C=C1C=Cc2cc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3cccc(C#N)c3F)nc2N1.C=C1C=Cc2cc(-c3ccc(CS(C)(=O)=O)c(Cl)c3)c(-c3ccccc3)nc2N1
InChIInChI=1S/C24H20ClFN2O2S.C23H13ClFN5.C23H19ClN2O2S.2C22H21ClN4O2S/c1-14-10-18(12-22(25)21(14)13-31(3,29)30)20-11-17-5-4-15(2)27-24(17)28-23(20)16-6-8-19(26)9-7-16;1-12-5-6-13-8-18(15-7-16-11-27-30-21(16)19(24)9-15)22(29-23(13)28-12)17-4-2-3-14(10-26)20(17)25;1-15-8-9-18-12-20(17-10-11-19(21(24)13-17)14-29(2,27)28)22(26-23(18)25-15)16-6-4-3-5-7-16;1-13-9-16(11-19(23)18(13)12-30(4,28)29)17-10-15-6-5-14(2)24-22(15)25-21(17)20-7-8-27(3)26-20;1-13-9-17(11-20(23)19(13)12-30(4,28)29)18-10-16-6-5-14(2)24-21(16)25-22(18)27-8-7-15(3)26-27/h4-12H,2,13H2,1,3H3,(H,27,28);2-9,11H,1H2,(H,27,30)(H,28,29);3-13H,1,14H2,2H3,(H,25,26);2*5-11H,2,12H2,1,3-4H3,(H,24,25)
InChIKeyNOWWBAHZHMMBMG-UHFFFAOYSA-N
XLogP26.80
TPSA349.27 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002173.65
LogP ≤ 526.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 3-[3-(7-chloro-1H-indazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-7-(4-fluorophenyl)-2-methylidene-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridine;6-[3-chloro-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-phenyl-1H-1,8-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(7-chloro-1H-indazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-7-(4-fluorophenyl)-2-methylidene-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridine;6-[3-chloro-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-phenyl-1H-1,8-naphthyridine?
The IUPAC name of 3-[3-(7-chloro-1H-indazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-7-(4-fluorophenyl)-2-methylidene-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridine;6-[3-chloro-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-phenyl-1H-1,8-naphthyridine (CID 163812996) is 3-[3-(7-chloro-1H-indazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-7-(4-fluorophenyl)-2-methylidene-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridine;6-[3-chloro-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-phenyl-1H-1,8-naphthyridine.
What is the SMILES notation for 3-[3-(7-chloro-1H-indazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-7-(4-fluorophenyl)-2-methylidene-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridine;6-[3-chloro-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-phenyl-1H-1,8-naphthyridine?
The canonical SMILES for 3-[3-(7-chloro-1H-indazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-7-(4-fluorophenyl)-2-methylidene-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridine;6-[3-chloro-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-phenyl-1H-1,8-naphthyridine is C=C1C=Cc2cc(-c3cc(C)c(CS(C)(=O)=O)c(Cl)c3)c(-c3ccc(F)cc3)nc2N1.C=C1C=Cc2cc(-c3cc(C)c(CS(C)(=O)=O)c(Cl)c3)c(-c3ccn(C)n3)nc2N1.C=C1C=Cc2cc(-c3cc(C)c(CS(C)(=O)=O)c(Cl)c3)c(-n3ccc(C)n3)nc2N1.C=C1C=Cc2cc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3cccc(C#N)c3F)nc2N1.C=C1C=Cc2cc(-c3ccc(CS(C)(=O)=O)c(Cl)c3)c(-c3ccccc3)nc2N1.
What is the InChIKey of 3-[3-(7-chloro-1H-indazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-7-(4-fluorophenyl)-2-methylidene-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridine;6-[3-chloro-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-phenyl-1H-1,8-naphthyridine?
The InChIKey is NOWWBAHZHMMBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN2O2S.C23H13ClFN5.C23H19ClN2O2S.2C22H21ClN4O2S/c1-14-10-18(12-22(25)21(14)13-31(3,29)30)20-11-17-5-4-15(2)27-24(17)28-23(20)16-6-8-19(26)9-7-16;1-12-5-6-13-8-18(15-7-16-11-27-30-21(16)19(24)9-15)22(29-23(13)28-12)17-4-2-3-14(10-26)20(17)25;1-15-8-9-18-12-20(17-10-11-19(21(24)13-17)14-29(2,27)28)22(26-23(18)25-15)16-6-4-3-5-7-16;1-13-9-16(11-19(23)18(13)12-30(4,28)29)17-10-15-6-5-14(2)24-22(15)25-21(17)20-7-8-27(3)26-20;1-13-9-17(11-20(23)19(13)12-30(4,28)29)18-10-16-6-5-14(2)24-21(16)25-22(18)27-8-7-15(3)26-27/h4-12H,2,13H2,1,3H3,(H,27,28);2-9,11H,1H2,(H,27,30)(H,28,29);3-13H,1,14H2,2H3,(H,25,26);2*5-11H,2,12H2,1,3-4H3,(H,24,25).
What are the key properties of 3-[3-(7-chloro-1H-indazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-7-(4-fluorophenyl)-2-methylidene-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridine;6-[3-chloro-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-phenyl-1H-1,8-naphthyridine?
3-[3-(7-chloro-1H-indazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-7-(4-fluorophenyl)-2-methylidene-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridine;6-[3-chloro-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-phenyl-1H-1,8-naphthyridine has a molecular weight of 2173.65 g/mol, XLogP of 26.80, 18 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7-chloro-1H-indazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-7-(4-fluorophenyl)-2-methylidene-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridine;6-[3-chloro-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-phenyl-1H-1,8-naphthyridine is sourced from PubChem (CID 163812996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).