1-(2-amino-5-bromo-3-pyridinyl)-3-(4-fluorophenyl)propan-1-one;3-bromo-6-[(4-fluorophenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;methanol

C30H28Br2F2N4O3 — CID 158841478

IUPAC1-(2-amino-5-bromo-3-pyridinyl)-3-(4-fluorophenyl)propan-1-one;3-bromo-6-[(4-fluorophenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;methanol
SMILESCO.Nc1ncc(Br)cc1C(=O)CCc1ccc(F)cc1.O=C1c2cc(Br)cnc2CCN1Cc1ccc(F)cc1
InChIInChI=1S/C15H12BrFN2O.C14H12BrFN2O.CH4O/c16-11-7-13-14(18-8-11)5-6-19(15(13)20)9-10-1-3-12(17)4-2-10;15-10-7-12(14(17)18-8-10)13(19)6-3-9-1-4-11(16)5-2-9;1-2/h1-4,7-8H,5-6,9H2;1-2,4-5,7-8H,3,6H2,(H2,17,18);2H,1H3
InChIKeyIYHKTNQCPODJQY-UHFFFAOYSA-N
MW690.38 g/mol
LogP6.17
Rot. Bonds6

About 1-(2-amino-5-bromo-3-pyridinyl)-3-(4-fluorophenyl)propan-1-one;3-bromo-6-[(4-fluorophenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;methanol

1-(2-amino-5-bromo-3-pyridinyl)-3-(4-fluorophenyl)propan-1-one;3-bromo-6-[(4-fluorophenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;methanol (PubChem CID 158841478) has the molecular formula C30H28Br2F2N4O3 and a molecular weight of 690.38 g/mol. Its IUPAC name is 1-(2-amino-5-bromo-3-pyridinyl)-3-(4-fluorophenyl)propan-1-one;3-bromo-6-[(4-fluorophenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;methanol.

Molecular Properties

Compound Name1-(2-amino-5-bromo-3-pyridinyl)-3-(4-fluorophenyl)propan-1-one;3-bromo-6-[(4-fluorophenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;methanol
PubChem CID158841478
Molecular FormulaC30H28Br2F2N4O3
Molecular Weight690.38 g/mol
Exact Mass688.05
IUPAC Name1-(2-amino-5-bromo-3-pyridinyl)-3-(4-fluorophenyl)propan-1-one;3-bromo-6-[(4-fluorophenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;methanol
SMILESCO.Nc1ncc(Br)cc1C(=O)CCc1ccc(F)cc1.O=C1c2cc(Br)cnc2CCN1Cc1ccc(F)cc1
InChIInChI=1S/C15H12BrFN2O.C14H12BrFN2O.CH4O/c16-11-7-13-14(18-8-11)5-6-19(15(13)20)9-10-1-3-12(17)4-2-10;15-10-7-12(14(17)18-8-10)13(19)6-3-9-1-4-11(16)5-2-9;1-2/h1-4,7-8H,5-6,9H2;1-2,4-5,7-8H,3,6H2,(H2,17,18);2H,1H3
InChIKeyIYHKTNQCPODJQY-UHFFFAOYSA-N
XLogP6.17
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.38
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-amino-5-bromo-3-pyridinyl)-3-(4-fluorophenyl)propan-1-one;3-bromo-6-[(4-fluorophenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;methanol with MolForge

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Related Compounds

N-(2-bromo-4,6-difluorophenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 3242289
(4-((4-Bromo-2-fluorophenyl)amino)-7-methyl-1,8-naphthyridin-3-yl)(3-methylpiperidin-1-yl)methanone
CID 49660665
[4-(4-bromo-2-fluorophenylamino)-7-methyl-1,8-diaza-3-naphthyl][(S)-3-methyl-1-piperidyl]methanone
CID 52313331
6-(Aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-(pyridin-4-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 11598514
6-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridine-3-carboxamide
CID 11754974
6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-(pyridin-4-ylmethylamino)-2H-pyrido[2,3-d]pyrimidin-4-one
CID 59353112
6-(Aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-[methyl(pyridin-4-yl)amino]pyrido[2,3-d]pyrimidine-2,4-dione
CID 66639303
[4-[4-[(4-Bromophenyl)-(ethoxyamino)methylidene]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]methanone
CID 91574654
4-[6-bromo-3-methyl-2,4-dioxo-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrido[2,3-d]pyrimidin-3-ium-3-yl]butanoic acid
CID 118875438
7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 156831054
6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-3,4-dihydro-2H-2,7-naphthyridin-1-one
CID 166094466
7-amino-6-bromo-N-[1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 166709892

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromo-3-pyridinyl)-3-(4-fluorophenyl)propan-1-one;3-bromo-6-[(4-fluorophenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;methanol?
The IUPAC name of 1-(2-amino-5-bromo-3-pyridinyl)-3-(4-fluorophenyl)propan-1-one;3-bromo-6-[(4-fluorophenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;methanol (CID 158841478) is 1-(2-amino-5-bromo-3-pyridinyl)-3-(4-fluorophenyl)propan-1-one;3-bromo-6-[(4-fluorophenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;methanol.
What is the SMILES notation for 1-(2-amino-5-bromo-3-pyridinyl)-3-(4-fluorophenyl)propan-1-one;3-bromo-6-[(4-fluorophenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;methanol?
The canonical SMILES for 1-(2-amino-5-bromo-3-pyridinyl)-3-(4-fluorophenyl)propan-1-one;3-bromo-6-[(4-fluorophenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;methanol is CO.Nc1ncc(Br)cc1C(=O)CCc1ccc(F)cc1.O=C1c2cc(Br)cnc2CCN1Cc1ccc(F)cc1.
What is the InChIKey of 1-(2-amino-5-bromo-3-pyridinyl)-3-(4-fluorophenyl)propan-1-one;3-bromo-6-[(4-fluorophenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;methanol?
The InChIKey is IYHKTNQCPODJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O.C14H12BrFN2O.CH4O/c16-11-7-13-14(18-8-11)5-6-19(15(13)20)9-10-1-3-12(17)4-2-10;15-10-7-12(14(17)18-8-10)13(19)6-3-9-1-4-11(16)5-2-9;1-2/h1-4,7-8H,5-6,9H2;1-2,4-5,7-8H,3,6H2,(H2,17,18);2H,1H3.
What are the key properties of 1-(2-amino-5-bromo-3-pyridinyl)-3-(4-fluorophenyl)propan-1-one;3-bromo-6-[(4-fluorophenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;methanol?
1-(2-amino-5-bromo-3-pyridinyl)-3-(4-fluorophenyl)propan-1-one;3-bromo-6-[(4-fluorophenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;methanol has a molecular weight of 690.38 g/mol, XLogP of 6.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromo-3-pyridinyl)-3-(4-fluorophenyl)propan-1-one;3-bromo-6-[(4-fluorophenyl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;methanol is sourced from PubChem (CID 158841478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).