2-(5-chloro-2-fluorophenyl)-4-(1,7-naphthyridin-5-yl)-1,8-naphthyridine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine

C93H59ClF5N15O3 — CID 161089251

IUPAC2-(5-chloro-2-fluorophenyl)-4-(1,7-naphthyridin-5-yl)-1,8-naphthyridine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine
SMILESCOc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)nccc12.Fc1ccc(Cl)cc1-c1cc(-c2cncc3ncccc23)c2cccnc2n1.Nc1ccc(-c2cc(-c3cc(F)ccc3F)nc3ncccc23)c2ccncc12.OCCOc1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C25H18FN3O2.C23H14F2N4.C23H15FN4O.C22H12ClFN4/c26-22-6-2-1-4-19(22)23-14-20(18-5-3-10-28-25(18)29-23)16-7-8-24(31-13-12-30)21-15-27-11-9-17(16)21;24-13-3-5-20(25)18(10-13)22-11-17(16-2-1-8-28-23(16)29-22)14-4-6-21(26)19-12-27-9-7-15(14)19;1-29-23-16-9-11-25-21(14(16)8-12-27-23)18-13-20(17-5-2-3-7-19(17)24)28-22-15(18)6-4-10-26-22;23-13-5-6-19(24)17(9-13)20-10-16(15-4-2-8-27-22(15)28-20)18-11-25-12-21-14(18)3-1-7-26-21/h1-11,14-15,30H,12-13H2;1-12H,26H2;2-13H,1H3;1-12H
InChIKeyUGYIZGZDOGNVOV-UHFFFAOYSA-N
MW1565.04 g/mol
LogP21.15
Rot. Bonds12

About 2-(5-chloro-2-fluorophenyl)-4-(1,7-naphthyridin-5-yl)-1,8-naphthyridine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine

2-(5-chloro-2-fluorophenyl)-4-(1,7-naphthyridin-5-yl)-1,8-naphthyridine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine (PubChem CID 161089251) has the molecular formula C93H59ClF5N15O3 and a molecular weight of 1565.04 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-(1,7-naphthyridin-5-yl)-1,8-naphthyridine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-(1,7-naphthyridin-5-yl)-1,8-naphthyridine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine
PubChem CID161089251
Molecular FormulaC93H59ClF5N15O3
Molecular Weight1565.04 g/mol
Exact Mass1563.45
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-(1,7-naphthyridin-5-yl)-1,8-naphthyridine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine
SMILESCOc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)nccc12.Fc1ccc(Cl)cc1-c1cc(-c2cncc3ncccc23)c2cccnc2n1.Nc1ccc(-c2cc(-c3cc(F)ccc3F)nc3ncccc23)c2ccncc12.OCCOc1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C25H18FN3O2.C23H14F2N4.C23H15FN4O.C22H12ClFN4/c26-22-6-2-1-4-19(22)23-14-20(18-5-3-10-28-25(18)29-23)16-7-8-24(31-13-12-30)21-15-27-11-9-17(16)21;24-13-3-5-20(25)18(10-13)22-11-17(16-2-1-8-28-23(16)29-22)14-4-6-21(26)19-12-27-9-7-15(14)19;1-29-23-16-9-11-25-21(14(16)8-12-27-23)18-13-20(17-5-2-3-7-19(17)24)28-22-15(18)6-4-10-26-22;23-13-5-6-19(24)17(9-13)20-10-16(15-4-2-8-27-22(15)28-20)18-11-25-12-21-14(18)3-1-7-26-21/h1-11,14-15,30H,12-13H2;1-12H,26H2;2-13H,1H3;1-12H
InChIKeyUGYIZGZDOGNVOV-UHFFFAOYSA-N
XLogP21.15
TPSA245.17 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001565.04
LogP ≤ 521.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-(5-chloro-2-fluorophenyl)-4-(1,7-naphthyridin-5-yl)-1,8-naphthyridine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine with MolForge

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Related Compounds

2-Amino-5-pteridin-4-yl-4-[2-(pteridin-4-ylamino)ethyl]-3-[2-[4-[[3,5,6-trifluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]phenol
CID 140219532
7-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 157416471
6-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 157867768
2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline
CID 158009538
7-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 158360308
2-chloro-N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-(1H-indol-5-ylmethyl)-5-phenylquinazolin-4-amine;2-chloro-N-[(3-methylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-(6-methyl-3-pyridinyl)-5-phenylquinazolin-4-amine;2-[[(2-chloro-5-phenylquinazolin-4-yl)amino]methyl]phenol;2-chloro-5-phenyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]quinazolin-4-amine;5-(4-fluorophenyl)-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;methane
CID 158902028
1-[3-Chloro-5-[4-[cyclohexyl(methyl)amino]-6-[6-(dimethylamino)-3-pyridinyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[4-[cyclohexyl(methyl)amino]-5-methyl-6-quinoxalin-2-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-cyclohexyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 159032682
6-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 159035946
4-chloro-6-[(3-fluoro-4-isoquinolin-5-yloxyphenyl)methyl]pyrimidin-2-amine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-phenylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine;5-[2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]phenoxy]isoquinoline
CID 159096914
N-[4-(4-aminoquinazolin-6-yl)phenyl]acetamide;6-(4-chlorophenyl)quinazolin-4-amine;6-(3,4-dimethoxyphenyl)quinazolin-4-amine;6-(4-fluorophenyl)quinazolin-4-amine;6-phenylpyrido[3,2-d]pyrimidin-4-amine;6-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine;6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 159335266
7-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 159394529
2-[[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]oxy]ethanol;2-(3-chlorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2,5-difluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;2-(2-fluorophenyl)-N-pyridin-4-yl-1,8-naphthyridin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-amine
CID 159917775

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-(1,7-naphthyridin-5-yl)-1,8-naphthyridine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-(1,7-naphthyridin-5-yl)-1,8-naphthyridine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine (CID 161089251) is 2-(5-chloro-2-fluorophenyl)-4-(1,7-naphthyridin-5-yl)-1,8-naphthyridine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-(1,7-naphthyridin-5-yl)-1,8-naphthyridine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-(1,7-naphthyridin-5-yl)-1,8-naphthyridine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine is COc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)nccc12.Fc1ccc(Cl)cc1-c1cc(-c2cncc3ncccc23)c2cccnc2n1.Nc1ccc(-c2cc(-c3cc(F)ccc3F)nc3ncccc23)c2ccncc12.OCCOc1ccc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-(1,7-naphthyridin-5-yl)-1,8-naphthyridine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine?
The InChIKey is UGYIZGZDOGNVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O2.C23H14F2N4.C23H15FN4O.C22H12ClFN4/c26-22-6-2-1-4-19(22)23-14-20(18-5-3-10-28-25(18)29-23)16-7-8-24(31-13-12-30)21-15-27-11-9-17(16)21;24-13-3-5-20(25)18(10-13)22-11-17(16-2-1-8-28-23(16)29-22)14-4-6-21(26)19-12-27-9-7-15(14)19;1-29-23-16-9-11-25-21(14(16)8-12-27-23)18-13-20(17-5-2-3-7-19(17)24)28-22-15(18)6-4-10-26-22;23-13-5-6-19(24)17(9-13)20-10-16(15-4-2-8-27-22(15)28-20)18-11-25-12-21-14(18)3-1-7-26-21/h1-11,14-15,30H,12-13H2;1-12H,26H2;2-13H,1H3;1-12H.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-(1,7-naphthyridin-5-yl)-1,8-naphthyridine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine?
2-(5-chloro-2-fluorophenyl)-4-(1,7-naphthyridin-5-yl)-1,8-naphthyridine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine has a molecular weight of 1565.04 g/mol, XLogP of 21.15, 12 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-(1,7-naphthyridin-5-yl)-1,8-naphthyridine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-amine;2-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-methoxy-2,6-naphthyridine is sourced from PubChem (CID 161089251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).