4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine

C74H54Cl3F3N14O2 — CID 159912352

IUPAC4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.CN(C)c1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.O=c1[nH]cc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C28H25ClFN5O.C24H17ClFN5.C22H12ClFN4O/c1-3-35(4-2)12-13-36-28-24-16-31-11-9-19(24)23(17-33-28)21-15-26(22-14-18(29)7-8-25(22)30)34-27-20(21)6-5-10-32-27;1-31(2)24-20-12-27-9-7-15(20)19(13-29-24)17-11-22(18-10-14(25)5-6-21(18)26)30-23-16(17)4-3-8-28-23;23-12-3-4-19(24)16(8-12)20-9-15(14-2-1-6-26-21(14)28-20)17-11-27-22(29)18-10-25-7-5-13(17)18/h5-11,14-17H,3-4,12-13H2,1-2H3;3-13H,1-2H3;1-11H,(H,27,29)
InChIKeyNXINIOIHTHADPN-UHFFFAOYSA-N
MW1334.69 g/mol
LogP17.18
Rot. Bonds13

About 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine

4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine (PubChem CID 159912352) has the molecular formula C74H54Cl3F3N14O2 and a molecular weight of 1334.69 g/mol. Its IUPAC name is 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine
PubChem CID159912352
Molecular FormulaC74H54Cl3F3N14O2
Molecular Weight1334.69 g/mol
Exact Mass1332.36
IUPAC Name4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.CN(C)c1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.O=c1[nH]cc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C28H25ClFN5O.C24H17ClFN5.C22H12ClFN4O/c1-3-35(4-2)12-13-36-28-24-16-31-11-9-19(24)23(17-33-28)21-15-26(22-14-18(29)7-8-25(22)30)34-27-20(21)6-5-10-32-27;1-31(2)24-20-12-27-9-7-15(20)19(13-29-24)17-11-22(18-10-14(25)5-6-21(18)26)30-23-16(17)4-3-8-28-23;23-12-3-4-19(24)16(8-12)20-9-15(14-2-1-6-26-21(14)28-20)17-11-27-22(29)18-10-25-7-5-13(17)18/h5-11,14-17H,3-4,12-13H2,1-2H3;3-13H,1-2H3;1-11H,(H,27,29)
InChIKeyNXINIOIHTHADPN-UHFFFAOYSA-N
XLogP17.18
TPSA190.36 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001334.69
LogP ≤ 517.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine with MolForge

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Related Compounds

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US20240116948, Example 28
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US20240116948, Example 32
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CID 11856494
2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine
CID 56592296
4-[2-[[4-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine
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4-[[2-(5-Chloro-2-fluorophenyl)-7-[(4-methoxyphenyl)methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide
CID 68301907
N-[3-(7-chloro-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(2-ethyl-7-methoxypyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine?
The IUPAC name of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine (CID 159912352) is 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine.
What is the SMILES notation for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine?
The canonical SMILES for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine is CCN(CC)CCOc1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.CN(C)c1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.O=c1[nH]cc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.
What is the InChIKey of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine?
The InChIKey is NXINIOIHTHADPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClFN5O.C24H17ClFN5.C22H12ClFN4O/c1-3-35(4-2)12-13-36-28-24-16-31-11-9-19(24)23(17-33-28)21-15-26(22-14-18(29)7-8-25(22)30)34-27-20(21)6-5-10-32-27;1-31(2)24-20-12-27-9-7-15(20)19(13-29-24)17-11-22(18-10-14(25)5-6-21(18)26)30-23-16(17)4-3-8-28-23;23-12-3-4-19(24)16(8-12)20-9-15(14-2-1-6-26-21(14)28-20)17-11-27-22(29)18-10-25-7-5-13(17)18/h5-11,14-17H,3-4,12-13H2,1-2H3;3-13H,1-2H3;1-11H,(H,27,29).
What are the key properties of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine?
4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine has a molecular weight of 1334.69 g/mol, XLogP of 17.18, 13 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-N,N-diethylethanamine is sourced from PubChem (CID 159912352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).