2-(5-chloro-2-fluorophenyl)-4-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridin-2-amine;3-[[6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2-pyridinyl]-(2-hydroxyethyl)amino]propan-1-ol

C104H77Cl4F4N21O2 — CID 162237360

IUPAC2-(5-chloro-2-fluorophenyl)-4-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridin-2-amine;3-[[6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2-pyridinyl]-(2-hydroxyethyl)amino]propan-1-ol
SMILESCN1CCN(c2cncc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)c2)CC1.Nc1ccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1.Nc1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.OCCCN(CCO)c1cccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)n1
InChIInChI=1S/C29H24ClFN6.C29H25ClFN5O2.C24H15ClFN5.C22H13ClFN5/c1-36-7-9-37(10-8-36)23-12-20(16-33-18-23)19-11-21(17-32-15-19)25-14-28(26-13-22(30)4-5-27(26)31)35-29-24(25)3-2-6-34-29;30-21-7-8-25(31)24(15-21)27-16-23(22-4-2-9-33-29(22)35-27)19-14-20(18-32-17-19)26-5-1-6-28(34-26)36(11-13-38)10-3-12-37;25-17-4-5-21(26)20(9-17)22-10-19(18-2-1-7-29-24(18)31-22)16-8-15(11-28-12-16)14-3-6-23(27)30-13-14;23-12-3-4-19(24)16(8-12)20-9-15(14-2-1-6-27-22(14)29-20)17-11-28-21(25)18-10-26-7-5-13(17)18/h2-6,11-18H,7-10H2,1H3;1-2,4-9,14-18,37-38H,3,10-13H2;1-13H,(H2,27,30);1-11H,(H2,25,28)
InChIKeyZWFWVJVGZVLOQJ-UHFFFAOYSA-N
MW1870.71 g/mol
LogP22.44
Rot. Bonds18

About 2-(5-chloro-2-fluorophenyl)-4-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridin-2-amine;3-[[6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2-pyridinyl]-(2-hydroxyethyl)amino]propan-1-ol

2-(5-chloro-2-fluorophenyl)-4-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridin-2-amine;3-[[6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2-pyridinyl]-(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 162237360) has the molecular formula C104H77Cl4F4N21O2 and a molecular weight of 1870.71 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridin-2-amine;3-[[6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2-pyridinyl]-(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridin-2-amine;3-[[6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2-pyridinyl]-(2-hydroxyethyl)amino]propan-1-ol
PubChem CID162237360
Molecular FormulaC104H77Cl4F4N21O2
Molecular Weight1870.71 g/mol
Exact Mass1867.53
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridin-2-amine;3-[[6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2-pyridinyl]-(2-hydroxyethyl)amino]propan-1-ol
SMILESCN1CCN(c2cncc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)c2)CC1.Nc1ccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1.Nc1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.OCCCN(CCO)c1cccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)n1
InChIInChI=1S/C29H24ClFN6.C29H25ClFN5O2.C24H15ClFN5.C22H13ClFN5/c1-36-7-9-37(10-8-36)23-12-20(16-33-18-23)19-11-21(17-32-15-19)25-14-28(26-13-22(30)4-5-27(26)31)35-29-24(25)3-2-6-34-29;30-21-7-8-25(31)24(15-21)27-16-23(22-4-2-9-33-29(22)35-27)19-14-20(18-32-17-19)26-5-1-6-28(34-26)36(11-13-38)10-3-12-37;25-17-4-5-21(26)20(9-17)22-10-19(18-2-1-7-29-24(18)31-22)16-8-15(11-28-12-16)14-3-6-23(27)30-13-14;23-12-3-4-19(24)16(8-12)20-9-15(14-2-1-6-27-22(14)29-20)17-11-28-21(25)18-10-26-7-5-13(17)18/h2-6,11-18H,7-10H2,1H3;1-2,4-9,14-18,37-38H,3,10-13H2;1-13H,(H2,27,30);1-11H,(H2,25,28)
InChIKeyZWFWVJVGZVLOQJ-UHFFFAOYSA-N
XLogP22.44
TPSA308.46 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001870.71
LogP ≤ 522.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze 2-(5-chloro-2-fluorophenyl)-4-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridin-2-amine;3-[[6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2-pyridinyl]-(2-hydroxyethyl)amino]propan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

5-(3-Chloro-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381673
2-N-(3-chloro-4-fluorophenyl)-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 141494015
5-(3-Chloro-phenyl)-6-(4-dimethylamino-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11249663
7-(3-chloropyridin-2-yl)-2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[6-(trifluoromethyl)pyridin-3-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 22030263
4-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrido[3,4-d]pyrimidin-8-amine
CID 56591953
7-(3-chloropyridin-2-yl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-3-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 58665938
8-chloro-N-(2,5-dimorpholinopyridin-3-yl)-5-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 59631093
8-chloro-N-(2,5-dimorpholinopyridin-3-yl)-5,7-difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 59631140
2-(5-chloropyridin-3-yl)-N-(2,5-dimorpholinopyridin-3-yl)-5,7-difluoro-3-methylquinolin-4-amine
CID 59631166
2-(4-chloropyridin-2-yl)-N-(2,5-dimorpholinopyridin-3-yl)-5,7-difluoro-3-methylquinolin-4-amine
CID 59631254
6-chloro-N-(2,5-di-4-morpholinyl-3-pyridinyl)-5-fluoro-3-methyl-2-(2-pyridinyl)-4-quinolinamine
CID 59631369
8-chloro-N-(2,5-dimorpholinopyridin-3-yl)-7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 59631498

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridin-2-amine;3-[[6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2-pyridinyl]-(2-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridin-2-amine;3-[[6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2-pyridinyl]-(2-hydroxyethyl)amino]propan-1-ol (CID 162237360) is 2-(5-chloro-2-fluorophenyl)-4-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridin-2-amine;3-[[6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2-pyridinyl]-(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridin-2-amine;3-[[6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2-pyridinyl]-(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridin-2-amine;3-[[6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2-pyridinyl]-(2-hydroxyethyl)amino]propan-1-ol is CN1CCN(c2cncc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)c2)CC1.Nc1ccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1.Nc1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.OCCCN(CCO)c1cccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridin-2-amine;3-[[6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2-pyridinyl]-(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is ZWFWVJVGZVLOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClFN6.C29H25ClFN5O2.C24H15ClFN5.C22H13ClFN5/c1-36-7-9-37(10-8-36)23-12-20(16-33-18-23)19-11-21(17-32-15-19)25-14-28(26-13-22(30)4-5-27(26)31)35-29-24(25)3-2-6-34-29;30-21-7-8-25(31)24(15-21)27-16-23(22-4-2-9-33-29(22)35-27)19-14-20(18-32-17-19)26-5-1-6-28(34-26)36(11-13-38)10-3-12-37;25-17-4-5-21(26)20(9-17)22-10-19(18-2-1-7-29-24(18)31-22)16-8-15(11-28-12-16)14-3-6-23(27)30-13-14;23-12-3-4-19(24)16(8-12)20-9-15(14-2-1-6-27-22(14)29-20)17-11-28-21(25)18-10-26-7-5-13(17)18/h2-6,11-18H,7-10H2,1H3;1-2,4-9,14-18,37-38H,3,10-13H2;1-13H,(H2,27,30);1-11H,(H2,25,28).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridin-2-amine;3-[[6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2-pyridinyl]-(2-hydroxyethyl)amino]propan-1-ol?
2-(5-chloro-2-fluorophenyl)-4-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridin-2-amine;3-[[6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2-pyridinyl]-(2-hydroxyethyl)amino]propan-1-ol has a molecular weight of 1870.71 g/mol, XLogP of 22.44, 18 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-1,8-naphthyridine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine;5-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridin-2-amine;3-[[6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2-pyridinyl]-(2-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 162237360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).