2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-yl-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-(1,3,5-triazin-2-yl)-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine

C98H64Cl3F8N23O2 — CID 160576815

IUPAC2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-yl-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-(1,3,5-triazin-2-yl)-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine
SMILESCOCCOc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12.Fc1ccc(C(F)(F)F)cc1-c1cc(Nc2ccncc2)c2cccnc2n1.Fc1ccc(Cl)cc1-c1cc(-n2ccc3cnccc32)c2cccnc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ncncn2)c2cccnc2n1.Fc1ccccc1-c1cc(Nc2ccncn2)c2cccnc2n1
InChIInChI=1S/C22H18ClFN4O2.C21H12ClFN4.C20H12F4N4.C18H12FN5.C17H10ClFN6/c1-29-9-10-30-21-13-25-8-6-18(21)27-19-12-20(16-11-14(23)4-5-17(16)24)28-22-15(19)3-2-7-26-22;22-14-3-4-17(23)16(10-14)18-11-20(15-2-1-7-25-21(15)26-18)27-9-6-13-12-24-8-5-19(13)27;21-16-4-3-12(20(22,23)24)10-15(16)18-11-17(27-13-5-8-25-9-6-13)14-2-1-7-26-19(14)28-18;19-14-6-2-1-4-12(14)15-10-16(23-17-7-9-20-11-22-17)13-5-3-8-21-18(13)24-15;18-10-3-4-13(19)12(6-10)15-7-14(25-17-22-8-20-9-23-17)11-2-1-5-21-16(11)24-15/h2-8,11-13H,9-10H2,1H3,(H,25,26,27,28);1-12H;1-11H,(H,25,26,27,28);1-11H,(H,20,21,22,23,24);1-9H,(H,20,21,22,23,24,25)
InChIKeyRBGIWTSNEWHVSH-UHFFFAOYSA-N
MW1854.09 g/mol
LogP24.26
Rot. Bonds18

About 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-yl-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-(1,3,5-triazin-2-yl)-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine

2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-yl-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-(1,3,5-triazin-2-yl)-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine (PubChem CID 160576815) has the molecular formula C98H64Cl3F8N23O2 and a molecular weight of 1854.09 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-yl-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-(1,3,5-triazin-2-yl)-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-yl-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-(1,3,5-triazin-2-yl)-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine
PubChem CID160576815
Molecular FormulaC98H64Cl3F8N23O2
Molecular Weight1854.09 g/mol
Exact Mass1851.46
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-yl-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-(1,3,5-triazin-2-yl)-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine
SMILESCOCCOc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12.Fc1ccc(C(F)(F)F)cc1-c1cc(Nc2ccncc2)c2cccnc2n1.Fc1ccc(Cl)cc1-c1cc(-n2ccc3cnccc32)c2cccnc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ncncn2)c2cccnc2n1.Fc1ccccc1-c1cc(Nc2ccncn2)c2cccnc2n1
InChIInChI=1S/C22H18ClFN4O2.C21H12ClFN4.C20H12F4N4.C18H12FN5.C17H10ClFN6/c1-29-9-10-30-21-13-25-8-6-18(21)27-19-12-20(16-11-14(23)4-5-17(16)24)28-22-15(19)3-2-7-26-22;22-14-3-4-17(23)16(10-14)18-11-20(15-2-1-7-25-21(15)26-18)27-9-6-13-12-24-8-5-19(13)27;21-16-4-3-12(20(22,23)24)10-15(16)18-11-17(27-13-5-8-25-9-6-13)14-2-1-7-26-19(14)28-18;19-14-6-2-1-4-12(14)15-10-16(23-17-7-9-20-11-22-17)13-5-3-8-21-18(13)24-15;18-10-3-4-13(19)12(6-10)15-7-14(25-17-22-8-20-9-23-17)11-2-1-5-21-16(11)24-15/h2-8,11-13H,9-10H2,1H3,(H,25,26,27,28);1-12H;1-11H,(H,25,26,27,28);1-11H,(H,20,21,22,23,24);1-9H,(H,20,21,22,23,24,25)
InChIKeyRBGIWTSNEWHVSH-UHFFFAOYSA-N
XLogP24.26
TPSA303.53 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms134
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001854.09
LogP ≤ 524.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-yl-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-(1,3,5-triazin-2-yl)-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-yl-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-(1,3,5-triazin-2-yl)-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-yl-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-(1,3,5-triazin-2-yl)-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine (CID 160576815) is 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-yl-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-(1,3,5-triazin-2-yl)-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-yl-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-(1,3,5-triazin-2-yl)-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-yl-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-(1,3,5-triazin-2-yl)-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine is COCCOc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12.Fc1ccc(C(F)(F)F)cc1-c1cc(Nc2ccncc2)c2cccnc2n1.Fc1ccc(Cl)cc1-c1cc(-n2ccc3cnccc32)c2cccnc2n1.Fc1ccc(Cl)cc1-c1cc(Nc2ncncn2)c2cccnc2n1.Fc1ccccc1-c1cc(Nc2ccncn2)c2cccnc2n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-yl-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-(1,3,5-triazin-2-yl)-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine?
The InChIKey is RBGIWTSNEWHVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O2.C21H12ClFN4.C20H12F4N4.C18H12FN5.C17H10ClFN6/c1-29-9-10-30-21-13-25-8-6-18(21)27-19-12-20(16-11-14(23)4-5-17(16)24)28-22-15(19)3-2-7-26-22;22-14-3-4-17(23)16(10-14)18-11-20(15-2-1-7-25-21(15)26-18)27-9-6-13-12-24-8-5-19(13)27;21-16-4-3-12(20(22,23)24)10-15(16)18-11-17(27-13-5-8-25-9-6-13)14-2-1-7-26-19(14)28-18;19-14-6-2-1-4-12(14)15-10-16(23-17-7-9-20-11-22-17)13-5-3-8-21-18(13)24-15;18-10-3-4-13(19)12(6-10)15-7-14(25-17-22-8-20-9-23-17)11-2-1-5-21-16(11)24-15/h2-8,11-13H,9-10H2,1H3,(H,25,26,27,28);1-12H;1-11H,(H,25,26,27,28);1-11H,(H,20,21,22,23,24);1-9H,(H,20,21,22,23,24,25).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-yl-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-(1,3,5-triazin-2-yl)-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-yl-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-(1,3,5-triazin-2-yl)-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine has a molecular weight of 1854.09 g/mol, XLogP of 24.26, 18 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine;2-(5-chloro-2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-yl-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-N-(1,3,5-triazin-2-yl)-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine is sourced from PubChem (CID 160576815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).