3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-(5-pyridin-4-yl-3-pyridinyl)-1,8-naphthyridine

C79H62Cl3F3N16O — CID 159132129

IUPAC3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-(5-pyridin-4-yl-3-pyridinyl)-1,8-naphthyridine
SMILESCN(C)CCCn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccncc3)c2)c2cccnc2n1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(CCN4CCOCC4)c3)c2)c2cccnc2n1
InChIInChI=1S/C28H24ClFN6O.C27H24ClFN6.C24H14ClFN4/c29-22-3-4-26(30)25(13-22)27-14-24(23-2-1-5-32-28(23)34-27)20-12-19(15-31-16-20)21-17-33-36(18-21)7-6-35-8-10-37-11-9-35;1-34(2)9-4-10-35-17-20(16-32-35)18-11-19(15-30-14-18)23-13-26(24-12-21(28)6-7-25(24)29)33-27-22(23)5-3-8-31-27;25-18-3-4-22(26)21(11-18)23-12-20(19-2-1-7-29-24(19)30-23)17-10-16(13-28-14-17)15-5-8-27-9-6-15/h1-5,12-18H,6-11H2;3,5-8,11-17H,4,9-10H2,1-2H3;1-14H
InChIKeyKHALEIBURMNTBQ-UHFFFAOYSA-N
MW1414.83 g/mol
LogP17.53
Rot. Bonds16

About 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-(5-pyridin-4-yl-3-pyridinyl)-1,8-naphthyridine

3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-(5-pyridin-4-yl-3-pyridinyl)-1,8-naphthyridine (PubChem CID 159132129) has the molecular formula C79H62Cl3F3N16O and a molecular weight of 1414.83 g/mol. Its IUPAC name is 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-(5-pyridin-4-yl-3-pyridinyl)-1,8-naphthyridine.

Molecular Properties

Compound Name3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-(5-pyridin-4-yl-3-pyridinyl)-1,8-naphthyridine
PubChem CID159132129
Molecular FormulaC79H62Cl3F3N16O
Molecular Weight1414.83 g/mol
Exact Mass1412.43
IUPAC Name3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-(5-pyridin-4-yl-3-pyridinyl)-1,8-naphthyridine
SMILESCN(C)CCCn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccncc3)c2)c2cccnc2n1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(CCN4CCOCC4)c3)c2)c2cccnc2n1
InChIInChI=1S/C28H24ClFN6O.C27H24ClFN6.C24H14ClFN4/c29-22-3-4-26(30)25(13-22)27-14-24(23-2-1-5-32-28(23)34-27)20-12-19(15-31-16-20)21-17-33-36(18-21)7-6-35-8-10-37-11-9-35;1-34(2)9-4-10-35-17-20(16-32-35)18-11-19(15-30-14-18)23-13-26(24-12-21(28)6-7-25(24)29)33-27-22(23)5-3-8-31-27;25-18-3-4-22(26)21(11-18)23-12-20(19-2-1-7-29-24(19)30-23)17-10-16(13-28-14-17)15-5-8-27-9-6-15/h1-5,12-18H,6-11H2;3,5-8,11-17H,4,9-10H2,1-2H3;1-14H
InChIKeyKHALEIBURMNTBQ-UHFFFAOYSA-N
XLogP17.53
TPSA180.25 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001414.83
LogP ≤ 517.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-(5-pyridin-4-yl-3-pyridinyl)-1,8-naphthyridine with MolForge

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Related Compounds

5-(3-Chloro-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381673
(3S)-4-[7-(2-chloro-3-fluoro-4-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 57441865
US11453683, Example 147
CID 156124833
2-(5-Chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine
CID 53328062
2-(5-chloro-2-fluoro-phenyl)-4-[5-(1-methyl-1H-pyrazol-4-yl)-pyridin-3-yl]-[1,8]naphthyridine
CID 53344842
3-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 53344957
2-(5-Chloro-2-fluoro-phenyl)-4-{5-[1-(2-pyrrolidin-1-yl-ethyl)-1H-pyrazol-4-yl]-pyridin-3-yl}-[1,8]naphthyridine
CID 53344959
2-(5-Chloro-2-fluorophenyl)-4-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine
CID 53345068
[3-(4-{5-[2-(5-Chloro-2-fluoro-phenyl)-[1,8]naphthyridin-4-yl]-pyridin-3-yl}-pyrazol-1-yl)-propyl]-dimethyl-amine
CID 53345070
4-[2-[4-[5-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine
CID 53345071
4-[2-[4-[5-[2-[2-Fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
CID 53345182
2-(5-Chloro-2-fluorophenyl)-4-[5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-1,8-naphthyridine
CID 53345298

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-(5-pyridin-4-yl-3-pyridinyl)-1,8-naphthyridine?
The IUPAC name of 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-(5-pyridin-4-yl-3-pyridinyl)-1,8-naphthyridine (CID 159132129) is 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-(5-pyridin-4-yl-3-pyridinyl)-1,8-naphthyridine.
What is the SMILES notation for 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-(5-pyridin-4-yl-3-pyridinyl)-1,8-naphthyridine?
The canonical SMILES for 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-(5-pyridin-4-yl-3-pyridinyl)-1,8-naphthyridine is CN(C)CCCn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccncc3)c2)c2cccnc2n1.Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(CCN4CCOCC4)c3)c2)c2cccnc2n1.
What is the InChIKey of 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-(5-pyridin-4-yl-3-pyridinyl)-1,8-naphthyridine?
The InChIKey is KHALEIBURMNTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN6O.C27H24ClFN6.C24H14ClFN4/c29-22-3-4-26(30)25(13-22)27-14-24(23-2-1-5-32-28(23)34-27)20-12-19(15-31-16-20)21-17-33-36(18-21)7-6-35-8-10-37-11-9-35;1-34(2)9-4-10-35-17-20(16-32-35)18-11-19(15-30-14-18)23-13-26(24-12-21(28)6-7-25(24)29)33-27-22(23)5-3-8-31-27;25-18-3-4-22(26)21(11-18)23-12-20(19-2-1-7-29-24(19)30-23)17-10-16(13-28-14-17)15-5-8-27-9-6-15/h1-5,12-18H,6-11H2;3,5-8,11-17H,4,9-10H2,1-2H3;1-14H.
What are the key properties of 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-(5-pyridin-4-yl-3-pyridinyl)-1,8-naphthyridine?
3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-(5-pyridin-4-yl-3-pyridinyl)-1,8-naphthyridine has a molecular weight of 1414.83 g/mol, XLogP of 17.53, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]-N,N-dimethylpropan-1-amine;4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine;2-(5-chloro-2-fluorophenyl)-4-(5-pyridin-4-yl-3-pyridinyl)-1,8-naphthyridine is sourced from PubChem (CID 159132129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).