8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol

C70H49F3N14O5 — CID 159202242

IUPAC8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol
SMILESNc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)c[nH]c(=O)c12.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cnc(OCCO)c12.OCCOc1ncc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C24H18FN5O2.C24H17FN4O2.C22H14FN5O/c25-19-6-2-1-4-16(19)20-12-17(15-5-3-8-28-23(15)30-20)18-13-29-24(32-11-10-31)21-14(18)7-9-27-22(21)26;25-21-6-2-1-4-17(21)22-12-18(16-5-3-8-27-23(16)29-22)19-14-28-24(31-11-10-30)20-13-26-9-7-15(19)20;23-17-6-2-1-4-14(17)18-10-15(13-5-3-8-26-21(13)28-18)16-11-27-22(29)19-12(16)7-9-25-20(19)24/h1-9,12-13,31H,10-11H2,(H2,26,27);1-9,12-14,30H,10-11H2;1-11H,(H2,24,25)(H,27,29)
InChIKeyKPKYURKJCCQBED-UHFFFAOYSA-N
MW1223.25 g/mol
LogP12.34
Rot. Bonds12

About 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol

8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol (PubChem CID 159202242) has the molecular formula C70H49F3N14O5 and a molecular weight of 1223.25 g/mol. Its IUPAC name is 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol.

Molecular Properties

Compound Name8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol
PubChem CID159202242
Molecular FormulaC70H49F3N14O5
Molecular Weight1223.25 g/mol
Exact Mass1222.40
IUPAC Name8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol
SMILESNc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)c[nH]c(=O)c12.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cnc(OCCO)c12.OCCOc1ncc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C24H18FN5O2.C24H17FN4O2.C22H14FN5O/c25-19-6-2-1-4-16(19)20-12-17(15-5-3-8-28-23(15)30-20)18-13-29-24(32-11-10-31)21-14(18)7-9-27-22(21)26;25-21-6-2-1-4-17(21)22-12-18(16-5-3-8-27-23(16)29-22)19-14-28-24(31-11-10-30)20-13-26-9-7-15(19)20;23-17-6-2-1-4-14(17)18-10-15(13-5-3-8-26-21(13)28-18)16-11-27-22(29)19-12(16)7-9-25-20(19)24/h1-9,12-13,31H,10-11H2,(H2,26,27);1-9,12-14,30H,10-11H2;1-11H,(H2,24,25)(H,27,29)
InChIKeyKPKYURKJCCQBED-UHFFFAOYSA-N
XLogP12.34
TPSA285.61 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001223.25
LogP ≤ 512.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol with MolForge

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Related Compounds

US10927111, Example 70
CID 155253613
2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 46909358
2-[[4-[2-(2-Fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol
CID 56592210
Ethanol, 2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]-
CID 56592374
6-[5-[[6-Ethoxy-5-(trifluoromethyl)pyridin-2-yl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 58645570
Ethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate
CID 67873187
Bis(ethyl 4-(4-methoxyanilino)-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate);hydrochloride
CID 88322586
2-[[4-[2-(2-Fluorophenyl)-1,8-naphthyridin-4-yl]-8-(methylamino)-2,7-naphthyridin-1-yl]oxy]ethanol
CID 144303778
2-[[2-[5-[Fluoro-[3-[[6-methoxy-2-(6-methyl-3-pyridinyl)quinazolin-4-yl]amino]phenoxy]methyl]-6-methyl-3-pyridinyl]-6-methoxyquinazolin-4-yl]amino]benzamide
CID 144501410
N-[1-[4-(4-methoxyphenyl)phenyl]ethyl]-2-methyl-1,8-naphthyridine-3-carboxamide;[3-(trifluoromethyl)phenyl]methyl 2-methyl-1,8-naphthyridine-3-carboxylate
CID 157071354
7-ethoxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide;N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(2,2,2-trifluoroethoxy)-1,8-naphthyridine-3-carboxamide
CID 157806439
N-[(4-tert-butylphenyl)methyl]-2,4-dimethyl-1,8-naphthyridine-3-carboxamide;5-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 158732141

Frequently Asked Questions

What is the IUPAC name of 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol?
The IUPAC name of 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol (CID 159202242) is 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol.
What is the SMILES notation for 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol?
The canonical SMILES for 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol is Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)c[nH]c(=O)c12.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cnc(OCCO)c12.OCCOc1ncc(-c2cc(-c3ccccc3F)nc3ncccc23)c2ccncc12.
What is the InChIKey of 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol?
The InChIKey is KPKYURKJCCQBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O2.C24H17FN4O2.C22H14FN5O/c25-19-6-2-1-4-16(19)20-12-17(15-5-3-8-28-23(15)30-20)18-13-29-24(32-11-10-31)21-14(18)7-9-27-22(21)26;25-21-6-2-1-4-17(21)22-12-18(16-5-3-8-27-23(16)29-22)19-14-28-24(31-11-10-30)20-13-26-9-7-15(19)20;23-17-6-2-1-4-14(17)18-10-15(13-5-3-8-26-21(13)28-18)16-11-27-22(29)19-12(16)7-9-25-20(19)24/h1-9,12-13,31H,10-11H2,(H2,26,27);1-9,12-14,30H,10-11H2;1-11H,(H2,24,25)(H,27,29).
What are the key properties of 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol?
8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol has a molecular weight of 1223.25 g/mol, XLogP of 12.34, 12 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;2-[[8-amino-4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol;2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethanol is sourced from PubChem (CID 159202242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).