2-(3-chloro-4-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,4-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,5-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-ethoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluoro-5-methylphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-phenoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone

C147H132ClF7N32O11 — CID 158560978

IUPAC2-(3-chloro-4-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,4-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,5-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-ethoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluoro-5-methylphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-phenoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCc3c(cnc4[nH]ncc34)C2)cc1.Cc1cc(F)cc(CC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1.O=C(Cc1cc(F)cc(F)c1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1ccc(F)c(Cl)c1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1ccc(F)c(F)c1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1ccc(Oc2ccccc2)cc1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1ccc2c(c1)CCO2)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1cccc(F)c1)N1CCc2c(cnc3[nH]ncc23)C1
InChIInChI=1S/C23H20N4O2.C19H18N4O2.C19H20N4O2.C18H17FN4O.C17H14ClFN4O.2C17H14F2N4O.C17H15FN4O/c28-22(12-16-6-8-19(9-7-16)29-18-4-2-1-3-5-18)27-11-10-20-17(15-27)13-24-23-21(20)14-25-26-23;24-18(8-12-1-2-17-13(7-12)4-6-25-17)23-5-3-15-14(11-23)9-20-19-16(15)10-21-22-19;1-2-25-15-5-3-13(4-6-15)9-18(24)23-8-7-16-14(12-23)10-20-19-17(16)11-21-22-19;1-11-4-12(6-14(19)5-11)7-17(24)23-3-2-15-13(10-23)8-20-18-16(15)9-21-22-18;18-14-5-10(1-2-15(14)19)6-16(24)23-4-3-12-11(9-23)7-20-17-13(12)8-21-22-17;18-12-3-10(4-13(19)6-12)5-16(24)23-2-1-14-11(9-23)7-20-17-15(14)8-21-22-17;18-14-2-1-10(5-15(14)19)6-16(24)23-4-3-12-11(9-23)7-20-17-13(12)8-21-22-17;18-13-3-1-2-11(6-13)7-16(23)22-5-4-14-12(10-22)8-19-17-15(14)9-20-21-17/h1-9,13-14H,10-12,15H2,(H,24,25,26);1-2,7,9-10H,3-6,8,11H2,(H,20,21,22);3-6,10-11H,2,7-9,12H2,1H3,(H,20,21,22);4-6,8-9H,2-3,7,10H2,1H3,(H,20,21,22);1-2,5,7-8H,3-4,6,9H2,(H,20,21,22);3-4,6-8H,1-2,5,9H2,(H,20,21,22);1-2,5,7-8H,3-4,6,9H2,(H,20,21,22);1-3,6,8-9H,4-5,7,10H2,(H,19,20,21)
InChIKeyHQWOTLSIEROSNO-UHFFFAOYSA-N
MW2691.32 g/mol
LogP20.74
Rot. Bonds20

About 2-(3-chloro-4-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,4-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,5-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-ethoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluoro-5-methylphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-phenoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone

2-(3-chloro-4-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,4-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,5-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-ethoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluoro-5-methylphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-phenoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone (PubChem CID 158560978) has the molecular formula C147H132ClF7N32O11 and a molecular weight of 2691.32 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,4-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,5-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-ethoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluoro-5-methylphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-phenoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,4-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,5-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-ethoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluoro-5-methylphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-phenoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
PubChem CID158560978
Molecular FormulaC147H132ClF7N32O11
Molecular Weight2691.32 g/mol
Exact Mass2689.03
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,4-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,5-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-ethoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluoro-5-methylphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-phenoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCc3c(cnc4[nH]ncc34)C2)cc1.Cc1cc(F)cc(CC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1.O=C(Cc1cc(F)cc(F)c1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1ccc(F)c(Cl)c1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1ccc(F)c(F)c1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1ccc(Oc2ccccc2)cc1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1ccc2c(c1)CCO2)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1cccc(F)c1)N1CCc2c(cnc3[nH]ncc23)C1
InChIInChI=1S/C23H20N4O2.C19H18N4O2.C19H20N4O2.C18H17FN4O.C17H14ClFN4O.2C17H14F2N4O.C17H15FN4O/c28-22(12-16-6-8-19(9-7-16)29-18-4-2-1-3-5-18)27-11-10-20-17(15-27)13-24-23-21(20)14-25-26-23;24-18(8-12-1-2-17-13(7-12)4-6-25-17)23-5-3-15-14(11-23)9-20-19-16(15)10-21-22-19;1-2-25-15-5-3-13(4-6-15)9-18(24)23-8-7-16-14(12-23)10-20-19-17(16)11-21-22-19;1-11-4-12(6-14(19)5-11)7-17(24)23-3-2-15-13(10-23)8-20-18-16(15)9-21-22-18;18-14-5-10(1-2-15(14)19)6-16(24)23-4-3-12-11(9-23)7-20-17-13(12)8-21-22-17;18-12-3-10(4-13(19)6-12)5-16(24)23-2-1-14-11(9-23)7-20-17-15(14)8-21-22-17;18-14-2-1-10(5-15(14)19)6-16(24)23-4-3-12-11(9-23)7-20-17-13(12)8-21-22-17;18-13-3-1-2-11(6-13)7-16(23)22-5-4-14-12(10-22)8-19-17-15(14)9-20-21-17/h1-9,13-14H,10-12,15H2,(H,24,25,26);1-2,7,9-10H,3-6,8,11H2,(H,20,21,22);3-6,10-11H,2,7-9,12H2,1H3,(H,20,21,22);4-6,8-9H,2-3,7,10H2,1H3,(H,20,21,22);1-2,5,7-8H,3-4,6,9H2,(H,20,21,22);3-4,6-8H,1-2,5,9H2,(H,20,21,22);1-2,5,7-8H,3-4,6,9H2,(H,20,21,22);1-3,6,8-9H,4-5,7,10H2,(H,19,20,21)
InChIKeyHQWOTLSIEROSNO-UHFFFAOYSA-N
XLogP20.74
TPSA522.73 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002691.32
LogP ≤ 520.74
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 2-(3-chloro-4-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,4-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,5-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-ethoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluoro-5-methylphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-phenoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone with MolForge

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Related Compounds

CID 159096803
CID 159096803
1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;2-phenylacetyl chloride;2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2,2,2-trifluoroacetic acid
CID 160960194
3-(2-Chlorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)propan-1-one;3-cyclohexyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)propan-1-one;4-(3,4-dimethoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)butan-1-one;2-[4-(dimethylamino)phenyl]-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;methyl 4-[2-oxo-2-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethyl]benzoate;2-(2-phenoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-phenoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
CID 159745668
1-[1-[3-(dimethylamino)phenyl]-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(2-methoxyphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;1-[1-(2-methylphenyl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;4-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 160515927
3-(3-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(4-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(6-chloro-2,3-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(5-chloro-2-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-yl-3-(2,3,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 161460585
5-[[3-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[3-(3-methylphenyl)-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;tris(5-[[3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[2-(5-phenyl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 164044544

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,4-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,5-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-ethoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluoro-5-methylphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-phenoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,4-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,5-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-ethoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluoro-5-methylphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-phenoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone (CID 158560978) is 2-(3-chloro-4-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,4-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,5-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-ethoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluoro-5-methylphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-phenoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,4-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,5-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-ethoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluoro-5-methylphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-phenoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,4-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,5-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-ethoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluoro-5-methylphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-phenoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone is CCOc1ccc(CC(=O)N2CCc3c(cnc4[nH]ncc34)C2)cc1.Cc1cc(F)cc(CC(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1.O=C(Cc1cc(F)cc(F)c1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1ccc(F)c(Cl)c1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1ccc(F)c(F)c1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1ccc(Oc2ccccc2)cc1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1ccc2c(c1)CCO2)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1cccc(F)c1)N1CCc2c(cnc3[nH]ncc23)C1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,4-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,5-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-ethoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluoro-5-methylphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-phenoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone?
The InChIKey is HQWOTLSIEROSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2.C19H18N4O2.C19H20N4O2.C18H17FN4O.C17H14ClFN4O.2C17H14F2N4O.C17H15FN4O/c28-22(12-16-6-8-19(9-7-16)29-18-4-2-1-3-5-18)27-11-10-20-17(15-27)13-24-23-21(20)14-25-26-23;24-18(8-12-1-2-17-13(7-12)4-6-25-17)23-5-3-15-14(11-23)9-20-19-16(15)10-21-22-19;1-2-25-15-5-3-13(4-6-15)9-18(24)23-8-7-16-14(12-23)10-20-19-17(16)11-21-22-19;1-11-4-12(6-14(19)5-11)7-17(24)23-3-2-15-13(10-23)8-20-18-16(15)9-21-22-18;18-14-5-10(1-2-15(14)19)6-16(24)23-4-3-12-11(9-23)7-20-17-13(12)8-21-22-17;18-12-3-10(4-13(19)6-12)5-16(24)23-2-1-14-11(9-23)7-20-17-15(14)8-21-22-17;18-14-2-1-10(5-15(14)19)6-16(24)23-4-3-12-11(9-23)7-20-17-13(12)8-21-22-17;18-13-3-1-2-11(6-13)7-16(23)22-5-4-14-12(10-22)8-19-17-15(14)9-20-21-17/h1-9,13-14H,10-12,15H2,(H,24,25,26);1-2,7,9-10H,3-6,8,11H2,(H,20,21,22);3-6,10-11H,2,7-9,12H2,1H3,(H,20,21,22);4-6,8-9H,2-3,7,10H2,1H3,(H,20,21,22);1-2,5,7-8H,3-4,6,9H2,(H,20,21,22);3-4,6-8H,1-2,5,9H2,(H,20,21,22);1-2,5,7-8H,3-4,6,9H2,(H,20,21,22);1-3,6,8-9H,4-5,7,10H2,(H,19,20,21).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,4-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,5-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-ethoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluoro-5-methylphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-phenoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone?
2-(3-chloro-4-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,4-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,5-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-ethoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluoro-5-methylphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-phenoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone has a molecular weight of 2691.32 g/mol, XLogP of 20.74, 20 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,4-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3,5-difluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-ethoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluoro-5-methylphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(3-fluorophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-(4-phenoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone is sourced from PubChem (CID 158560978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).