7-bromo-2-[3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-methyl-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone;2-fluoro-N-methoxy-N-methylbenzamide

C73H55Br4F4N13O4 — CID 159797697

IUPAC7-bromo-2-[3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-methyl-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone;2-fluoro-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccccc1F.Cc1ccc2ncc(Br)cc2n1.Fc1ccccc1-c1[nH]ncc1-c1ccc2ncc(Br)cc2n1.Fc1ccccc1-c1nn(C2CCCCO2)cc1-c1ccc2ncc(Br)cc2n1.O=C(Cc1ccc2ncc(Br)cc2n1)c1ccccc1F
InChIInChI=1S/C22H18BrFN4O.C17H10BrFN4.C16H10BrFN2O.C9H7BrN2.C9H10FNO2/c23-14-11-20-19(25-12-14)9-8-18(26-20)16-13-28(21-7-3-4-10-29-21)27-22(16)15-5-1-2-6-17(15)24;18-10-7-16-15(20-8-10)6-5-14(22-16)12-9-21-23-17(12)11-3-1-2-4-13(11)19;17-10-7-15-14(19-9-10)6-5-11(20-15)8-16(21)12-3-1-2-4-13(12)18;1-6-2-3-8-9(12-6)4-7(10)5-11-8;1-11(13-2)9(12)7-5-3-4-6-8(7)10/h1-2,5-6,8-9,11-13,21H,3-4,7,10H2;1-9H,(H,21,23);1-7,9H,8H2;2-5H,1H3;3-6H,1-2H3
InChIKeyNJJNTKNCPBIAEG-UHFFFAOYSA-N
MW1573.94 g/mol
LogP18.47
Rot. Bonds10

About 7-bromo-2-[3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-methyl-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone;2-fluoro-N-methoxy-N-methylbenzamide

7-bromo-2-[3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-methyl-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone;2-fluoro-N-methoxy-N-methylbenzamide (PubChem CID 159797697) has the molecular formula C73H55Br4F4N13O4 and a molecular weight of 1573.94 g/mol. Its IUPAC name is 7-bromo-2-[3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-methyl-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone;2-fluoro-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name7-bromo-2-[3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-methyl-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone;2-fluoro-N-methoxy-N-methylbenzamide
PubChem CID159797697
Molecular FormulaC73H55Br4F4N13O4
Molecular Weight1573.94 g/mol
Exact Mass1569.12
IUPAC Name7-bromo-2-[3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-methyl-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone;2-fluoro-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccccc1F.Cc1ccc2ncc(Br)cc2n1.Fc1ccccc1-c1[nH]ncc1-c1ccc2ncc(Br)cc2n1.Fc1ccccc1-c1nn(C2CCCCO2)cc1-c1ccc2ncc(Br)cc2n1.O=C(Cc1ccc2ncc(Br)cc2n1)c1ccccc1F
InChIInChI=1S/C22H18BrFN4O.C17H10BrFN4.C16H10BrFN2O.C9H7BrN2.C9H10FNO2/c23-14-11-20-19(25-12-14)9-8-18(26-20)16-13-28(21-7-3-4-10-29-21)27-22(16)15-5-1-2-6-17(15)24;18-10-7-16-15(20-8-10)6-5-14(22-16)12-9-21-23-17(12)11-3-1-2-4-13(11)19;17-10-7-15-14(19-9-10)6-5-11(20-15)8-16(21)12-3-1-2-4-13(12)18;1-6-2-3-8-9(12-6)4-7(10)5-11-8;1-11(13-2)9(12)7-5-3-4-6-8(7)10/h1-2,5-6,8-9,11-13,21H,3-4,7,10H2;1-9H,(H,21,23);1-7,9H,8H2;2-5H,1H3;3-6H,1-2H3
InChIKeyNJJNTKNCPBIAEG-UHFFFAOYSA-N
XLogP18.47
TPSA205.46 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001573.94
LogP ≤ 518.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-bromo-2-[3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-methyl-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone;2-fluoro-N-methoxy-N-methylbenzamide with MolForge

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Related Compounds

7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
CID 158217588
7-bromo-2-[3-(5-chloro-2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;(E)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)-3-(dimethylamino)prop-2-en-1-one;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 158975275
7-bromo-2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;(Z)-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 158982428
2,4-difluoro-N-methoxy-N-methylbenzamide;1-(2,4-difluorophenyl)-2-[7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]ethanone;2-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine;2-methyl-7-[1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine
CID 159256930

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-methyl-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone;2-fluoro-N-methoxy-N-methylbenzamide?
The IUPAC name of 7-bromo-2-[3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-methyl-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone;2-fluoro-N-methoxy-N-methylbenzamide (CID 159797697) is 7-bromo-2-[3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-methyl-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone;2-fluoro-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 7-bromo-2-[3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-methyl-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone;2-fluoro-N-methoxy-N-methylbenzamide?
The canonical SMILES for 7-bromo-2-[3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-methyl-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone;2-fluoro-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1ccccc1F.Cc1ccc2ncc(Br)cc2n1.Fc1ccccc1-c1[nH]ncc1-c1ccc2ncc(Br)cc2n1.Fc1ccccc1-c1nn(C2CCCCO2)cc1-c1ccc2ncc(Br)cc2n1.O=C(Cc1ccc2ncc(Br)cc2n1)c1ccccc1F.
What is the InChIKey of 7-bromo-2-[3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-methyl-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone;2-fluoro-N-methoxy-N-methylbenzamide?
The InChIKey is NJJNTKNCPBIAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrFN4O.C17H10BrFN4.C16H10BrFN2O.C9H7BrN2.C9H10FNO2/c23-14-11-20-19(25-12-14)9-8-18(26-20)16-13-28(21-7-3-4-10-29-21)27-22(16)15-5-1-2-6-17(15)24;18-10-7-16-15(20-8-10)6-5-14(22-16)12-9-21-23-17(12)11-3-1-2-4-13(11)19;17-10-7-15-14(19-9-10)6-5-11(20-15)8-16(21)12-3-1-2-4-13(12)18;1-6-2-3-8-9(12-6)4-7(10)5-11-8;1-11(13-2)9(12)7-5-3-4-6-8(7)10/h1-2,5-6,8-9,11-13,21H,3-4,7,10H2;1-9H,(H,21,23);1-7,9H,8H2;2-5H,1H3;3-6H,1-2H3.
What are the key properties of 7-bromo-2-[3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-methyl-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone;2-fluoro-N-methoxy-N-methylbenzamide?
7-bromo-2-[3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-methyl-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone;2-fluoro-N-methoxy-N-methylbenzamide has a molecular weight of 1573.94 g/mol, XLogP of 18.47, 10 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[3-(2-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridine;7-bromo-2-methyl-1,5-naphthyridine;2-(7-bromo-1,5-naphthyridin-2-yl)-1-(2-fluorophenyl)ethanone;2-fluoro-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 159797697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).