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

C141H144ClN29O13 — CID 159745668

IUPAC3-(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
SMILESCN(C)c1ccc(CC(=O)N2CCc3c(cnc4[nH]ncc34)C2)cc1.COC(=O)c1ccc(CC(=O)N2CCc3c(cnc4[nH]ncc34)C2)cc1.COc1ccc(CCCC(=O)N2CCc3c(cnc4[nH]ncc34)C2)cc1OC.O=C(CCC1CCCCC1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(CCc1ccccc1Cl)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1cccc(Oc2ccccc2)c1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1ccccc1Oc1ccccc1)N1CCc2c(cnc3[nH]ncc23)C1
InChIInChI=1S/2C23H20N4O2.C21H24N4O3.C19H21N5O.C19H18N4O3.C18H17ClN4O.C18H24N4O/c28-22(12-16-6-4-5-9-21(16)29-18-7-2-1-3-8-18)27-11-10-19-17(15-27)13-24-23-20(19)14-25-26-23;28-22(12-16-5-4-8-19(11-16)29-18-6-2-1-3-7-18)27-10-9-20-17(15-27)13-24-23-21(20)14-25-26-23;1-27-18-7-6-14(10-19(18)28-2)4-3-5-20(26)25-9-8-16-15(13-25)11-22-21-17(16)12-23-24-21;1-23(2)15-5-3-13(4-6-15)9-18(25)24-8-7-16-14(12-24)10-20-19-17(16)11-21-22-19;1-26-19(25)13-4-2-12(3-5-13)8-17(24)23-7-6-15-14(11-23)9-20-18-16(15)10-21-22-18;19-16-4-2-1-3-12(16)5-6-17(24)23-8-7-14-13(11-23)9-20-18-15(14)10-21-22-18;23-17(7-6-13-4-2-1-3-5-13)22-9-8-15-14(12-22)10-19-18-16(15)11-20-21-18/h1-9,13-14H,10-12,15H2,(H,24,25,26);1-8,11,13-14H,9-10,12,15H2,(H,24,25,26);6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,22,23,24);3-6,10-11H,7-9,12H2,1-2H3,(H,20,21,22);2-5,9-10H,6-8,11H2,1H3,(H,20,21,22);1-4,9-10H,5-8,11H2,(H,20,21,22);10-11,13H,1-9,12H2,(H,19,20,21)
InChIKeyNCZZOJCHAXGQFR-UHFFFAOYSA-N
MW2488.35 g/mol
LogP20.99
Rot. Bonds26

About 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

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 (PubChem CID 159745668) has the molecular formula C141H144ClN29O13 and a molecular weight of 2488.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID159745668
Molecular FormulaC141H144ClN29O13
Molecular Weight2488.35 g/mol
Exact Mass2486.12
IUPAC Name3-(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
SMILESCN(C)c1ccc(CC(=O)N2CCc3c(cnc4[nH]ncc34)C2)cc1.COC(=O)c1ccc(CC(=O)N2CCc3c(cnc4[nH]ncc34)C2)cc1.COc1ccc(CCCC(=O)N2CCc3c(cnc4[nH]ncc34)C2)cc1OC.O=C(CCC1CCCCC1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(CCc1ccccc1Cl)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1cccc(Oc2ccccc2)c1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1ccccc1Oc1ccccc1)N1CCc2c(cnc3[nH]ncc23)C1
InChIInChI=1S/2C23H20N4O2.C21H24N4O3.C19H21N5O.C19H18N4O3.C18H17ClN4O.C18H24N4O/c28-22(12-16-6-4-5-9-21(16)29-18-7-2-1-3-8-18)27-11-10-19-17(15-27)13-24-23-20(19)14-25-26-23;28-22(12-16-5-4-8-19(11-16)29-18-6-2-1-3-7-18)27-10-9-20-17(15-27)13-24-23-21(20)14-25-26-23;1-27-18-7-6-14(10-19(18)28-2)4-3-5-20(26)25-9-8-16-15(13-25)11-22-21-17(16)12-23-24-21;1-23(2)15-5-3-13(4-6-15)9-18(25)24-8-7-16-14(12-24)10-20-19-17(16)11-21-22-19;1-26-19(25)13-4-2-12(3-5-13)8-17(24)23-7-6-15-14(11-23)9-20-18-16(15)10-21-22-18;19-16-4-2-1-3-12(16)5-6-17(24)23-8-7-14-13(11-23)9-20-18-15(14)10-21-22-18;23-17(7-6-13-4-2-1-3-5-13)22-9-8-15-14(12-22)10-19-18-16(15)11-20-21-18/h1-9,13-14H,10-12,15H2,(H,24,25,26);1-8,11,13-14H,9-10,12,15H2,(H,24,25,26);6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,22,23,24);3-6,10-11H,7-9,12H2,1-2H3,(H,20,21,22);2-5,9-10H,6-8,11H2,1H3,(H,20,21,22);1-4,9-10H,5-8,11H2,(H,20,21,22);10-11,13H,1-9,12H2,(H,19,20,21)
InChIKeyNCZZOJCHAXGQFR-UHFFFAOYSA-N
XLogP20.99
TPSA499.62 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002488.35
LogP ≤ 520.99
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
4-(3-amino-4-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)benzonitrile;N-[3-(1-amino-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-4-methylphenyl]-3-chlorobenzamide;6-(2-chlorophenyl)-4-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine;5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine;8,8-dimethyl-5-phenyl-2,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-amine;5-(1H-indazol-4-yl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine;4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-(2-methylphenyl)-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-methyl-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-phenyl-6-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 159627176
5-(1,3-benzodioxol-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-phenylmethanone;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
CID 160150884
7-N-[(4-acetylphenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-benzyl-3-fluoro-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3-chloro-4-methylphenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methylphenyl)methyl]-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 161782300
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 162276019

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)c1ccc(CC(=O)N2CCc3c(cnc4[nH]ncc34)C2)cc1.COC(=O)c1ccc(CC(=O)N2CCc3c(cnc4[nH]ncc34)C2)cc1.COc1ccc(CCCC(=O)N2CCc3c(cnc4[nH]ncc34)C2)cc1OC.O=C(CCC1CCCCC1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(CCc1ccccc1Cl)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1cccc(Oc2ccccc2)c1)N1CCc2c(cnc3[nH]ncc23)C1.O=C(Cc1ccccc1Oc1ccccc1)N1CCc2c(cnc3[nH]ncc23)C1.
What is the InChIKey of 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?
The InChIKey is NCZZOJCHAXGQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20N4O2.C21H24N4O3.C19H21N5O.C19H18N4O3.C18H17ClN4O.C18H24N4O/c28-22(12-16-6-4-5-9-21(16)29-18-7-2-1-3-8-18)27-11-10-19-17(15-27)13-24-23-20(19)14-25-26-23;28-22(12-16-5-4-8-19(11-16)29-18-6-2-1-3-7-18)27-10-9-20-17(15-27)13-24-23-21(20)14-25-26-23;1-27-18-7-6-14(10-19(18)28-2)4-3-5-20(26)25-9-8-16-15(13-25)11-22-21-17(16)12-23-24-21;1-23(2)15-5-3-13(4-6-15)9-18(25)24-8-7-16-14(12-24)10-20-19-17(16)11-21-22-19;1-26-19(25)13-4-2-12(3-5-13)8-17(24)23-7-6-15-14(11-23)9-20-18-16(15)10-21-22-18;19-16-4-2-1-3-12(16)5-6-17(24)23-8-7-14-13(11-23)9-20-18-15(14)10-21-22-18;23-17(7-6-13-4-2-1-3-5-13)22-9-8-15-14(12-22)10-19-18-16(15)11-20-21-18/h1-9,13-14H,10-12,15H2,(H,24,25,26);1-8,11,13-14H,9-10,12,15H2,(H,24,25,26);6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,22,23,24);3-6,10-11H,7-9,12H2,1-2H3,(H,20,21,22);2-5,9-10H,6-8,11H2,1H3,(H,20,21,22);1-4,9-10H,5-8,11H2,(H,20,21,22);10-11,13H,1-9,12H2,(H,19,20,21).
What are the key properties of 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?
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 has a molecular weight of 2488.35 g/mol, XLogP of 20.99, 26 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159745668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).