2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]acetamide;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]propan-1-amine;2-(2,5-difluorophenyl)-4-[5-(3-piperidin-4-yloxyphenyl)-3-pyridinyl]-1,8-naphthyridine

C115H90Cl3F5N16O5 — CID 158699587

IUPAC2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]acetamide;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]propan-1-amine;2-(2,5-difluorophenyl)-4-[5-(3-piperidin-4-yloxyphenyl)-3-pyridinyl]-1,8-naphthyridine
SMILESCN(C)CCCOc1ccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cc1.Fc1ccc(F)c(-c2cc(-c3cncc(-c4cccc(OC5CCNCC5)c4)c3)c3cccnc3n2)c1.NC(=O)COc1ccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cc1.NCCCOc1ccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cc1
InChIInChI=1S/C30H26ClFN4O.C30H24F2N4O.C28H22ClFN4O.C27H18ClFN4O2/c1-36(2)13-4-14-37-24-9-6-20(7-10-24)21-15-22(19-33-18-21)26-17-29(27-16-23(31)8-11-28(27)32)35-30-25(26)5-3-12-34-30;31-22-6-7-28(32)27(15-22)29-16-26(25-5-2-10-35-30(25)36-29)21-13-20(17-34-18-21)19-3-1-4-24(14-19)37-23-8-11-33-12-9-23;29-21-6-9-26(30)25(14-21)27-15-24(23-3-1-11-33-28(23)34-27)20-13-19(16-32-17-20)18-4-7-22(8-5-18)35-12-2-10-31;28-19-5-8-24(29)23(11-19)25-12-22(21-2-1-9-32-27(21)33-25)18-10-17(13-31-14-18)16-3-6-20(7-4-16)35-15-26(30)34/h3,5-12,15-19H,4,13-14H2,1-2H3;1-7,10,13-18,23,33H,8-9,11-12H2;1,3-9,11,13-17H,2,10,12,31H2;1-14H,15H2,(H2,30,34)
InChIKeyIHJFXZOHJFILOT-UHFFFAOYSA-N
MW1977.44 g/mol
LogP25.81
Rot. Bonds26

About 2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]acetamide;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]propan-1-amine;2-(2,5-difluorophenyl)-4-[5-(3-piperidin-4-yloxyphenyl)-3-pyridinyl]-1,8-naphthyridine

2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]acetamide;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]propan-1-amine;2-(2,5-difluorophenyl)-4-[5-(3-piperidin-4-yloxyphenyl)-3-pyridinyl]-1,8-naphthyridine (PubChem CID 158699587) has the molecular formula C115H90Cl3F5N16O5 and a molecular weight of 1977.44 g/mol. Its IUPAC name is 2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]acetamide;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]propan-1-amine;2-(2,5-difluorophenyl)-4-[5-(3-piperidin-4-yloxyphenyl)-3-pyridinyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]acetamide;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]propan-1-amine;2-(2,5-difluorophenyl)-4-[5-(3-piperidin-4-yloxyphenyl)-3-pyridinyl]-1,8-naphthyridine
PubChem CID158699587
Molecular FormulaC115H90Cl3F5N16O5
Molecular Weight1977.44 g/mol
Exact Mass1974.63
IUPAC Name2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]acetamide;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]propan-1-amine;2-(2,5-difluorophenyl)-4-[5-(3-piperidin-4-yloxyphenyl)-3-pyridinyl]-1,8-naphthyridine
SMILESCN(C)CCCOc1ccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cc1.Fc1ccc(F)c(-c2cc(-c3cncc(-c4cccc(OC5CCNCC5)c4)c3)c3cccnc3n2)c1.NC(=O)COc1ccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cc1.NCCCOc1ccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cc1
InChIInChI=1S/C30H26ClFN4O.C30H24F2N4O.C28H22ClFN4O.C27H18ClFN4O2/c1-36(2)13-4-14-37-24-9-6-20(7-10-24)21-15-22(19-33-18-21)26-17-29(27-16-23(31)8-11-28(27)32)35-30-25(26)5-3-12-34-30;31-22-6-7-28(32)27(15-22)29-16-26(25-5-2-10-35-30(25)36-29)21-13-20(17-34-18-21)19-3-1-4-24(14-19)37-23-8-11-33-12-9-23;29-21-6-9-26(30)25(14-21)27-15-24(23-3-1-11-33-28(23)34-27)20-13-19(16-32-17-20)18-4-7-22(8-5-18)35-12-2-10-31;28-19-5-8-24(29)23(11-19)25-12-22(21-2-1-9-32-27(21)33-25)18-10-17(13-31-14-18)16-3-6-20(7-4-16)35-15-26(30)34/h3,5-12,15-19H,4,13-14H2,1-2H3;1-7,10,13-18,23,33H,8-9,11-12H2;1,3-9,11,13-17H,2,10,12,31H2;1-14H,15H2,(H2,30,34)
InChIKeyIHJFXZOHJFILOT-UHFFFAOYSA-N
XLogP25.81
TPSA275.98 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001977.44
LogP ≤ 525.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]acetamide;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]propan-1-amine;2-(2,5-difluorophenyl)-4-[5-(3-piperidin-4-yloxyphenyl)-3-pyridinyl]-1,8-naphthyridine with MolForge

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Related Compounds

6-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-4H-1,4-benzoxazin-3-one
CID 53346156
2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-dimethylethanamine
CID 56592560
2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-diethylethanamine
CID 56592650
2-[4-[5-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]acetamide
CID 68264638
3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 68264646
2-(2,5-Difluorophenyl)-4-[5-(3-piperidin-4-yloxyphenyl)-3-pyridinyl]-1,8-naphthyridine
CID 68264744
N-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]ethyl]-N-ethylpropan-1-amine
CID 68264745
2-(5-Chloro-2-fluorophenyl)-4-[5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-3-pyridinyl]-1,8-naphthyridine
CID 68264749
4-[2-[4-[5-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]ethyl]morpholine
CID 68264758
2-[3-[5-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]ethanamine
CID 71007868
3-[4-[5-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]propan-1-amine
CID 89958903
1-[3-[[2-[3-[[4-[6-[Bis(2-methoxyethyl)amino]-2-[3-chloro-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]-2-pyridinyl]oxymethyl]-5-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino]propyl]-3-[2-[[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]-(2-methoxyethyl)amino]ethoxy]pyrrolidin-2-one
CID 123198911

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]acetamide;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]propan-1-amine;2-(2,5-difluorophenyl)-4-[5-(3-piperidin-4-yloxyphenyl)-3-pyridinyl]-1,8-naphthyridine?
The IUPAC name of 2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]acetamide;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]propan-1-amine;2-(2,5-difluorophenyl)-4-[5-(3-piperidin-4-yloxyphenyl)-3-pyridinyl]-1,8-naphthyridine (CID 158699587) is 2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]acetamide;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]propan-1-amine;2-(2,5-difluorophenyl)-4-[5-(3-piperidin-4-yloxyphenyl)-3-pyridinyl]-1,8-naphthyridine.
What is the SMILES notation for 2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]acetamide;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]propan-1-amine;2-(2,5-difluorophenyl)-4-[5-(3-piperidin-4-yloxyphenyl)-3-pyridinyl]-1,8-naphthyridine?
The canonical SMILES for 2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]acetamide;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]propan-1-amine;2-(2,5-difluorophenyl)-4-[5-(3-piperidin-4-yloxyphenyl)-3-pyridinyl]-1,8-naphthyridine is CN(C)CCCOc1ccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cc1.Fc1ccc(F)c(-c2cc(-c3cncc(-c4cccc(OC5CCNCC5)c4)c3)c3cccnc3n2)c1.NC(=O)COc1ccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cc1.NCCCOc1ccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cc1.
What is the InChIKey of 2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]acetamide;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]propan-1-amine;2-(2,5-difluorophenyl)-4-[5-(3-piperidin-4-yloxyphenyl)-3-pyridinyl]-1,8-naphthyridine?
The InChIKey is IHJFXZOHJFILOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClFN4O.C30H24F2N4O.C28H22ClFN4O.C27H18ClFN4O2/c1-36(2)13-4-14-37-24-9-6-20(7-10-24)21-15-22(19-33-18-21)26-17-29(27-16-23(31)8-11-28(27)32)35-30-25(26)5-3-12-34-30;31-22-6-7-28(32)27(15-22)29-16-26(25-5-2-10-35-30(25)36-29)21-13-20(17-34-18-21)19-3-1-4-24(14-19)37-23-8-11-33-12-9-23;29-21-6-9-26(30)25(14-21)27-15-24(23-3-1-11-33-28(23)34-27)20-13-19(16-32-17-20)18-4-7-22(8-5-18)35-12-2-10-31;28-19-5-8-24(29)23(11-19)25-12-22(21-2-1-9-32-27(21)33-25)18-10-17(13-31-14-18)16-3-6-20(7-4-16)35-15-26(30)34/h3,5-12,15-19H,4,13-14H2,1-2H3;1-7,10,13-18,23,33H,8-9,11-12H2;1,3-9,11,13-17H,2,10,12,31H2;1-14H,15H2,(H2,30,34).
What are the key properties of 2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]acetamide;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]propan-1-amine;2-(2,5-difluorophenyl)-4-[5-(3-piperidin-4-yloxyphenyl)-3-pyridinyl]-1,8-naphthyridine?
2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]acetamide;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]propan-1-amine;2-(2,5-difluorophenyl)-4-[5-(3-piperidin-4-yloxyphenyl)-3-pyridinyl]-1,8-naphthyridine has a molecular weight of 1977.44 g/mol, XLogP of 25.81, 26 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]acetamide;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]-N,N-dimethylpropan-1-amine;3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]phenoxy]propan-1-amine;2-(2,5-difluorophenyl)-4-[5-(3-piperidin-4-yloxyphenyl)-3-pyridinyl]-1,8-naphthyridine is sourced from PubChem (CID 158699587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).