1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;8-(2-chlorophenyl)-16-(1-piperidin-4-ylpyrazol-4-yl)-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaene;3-[(4-methoxyphenyl)methyl]-7,8-dihydro-6H-pyrazolo[4,3-a][3,7]phenanthrolin-9-one;1-(5-methylfuran-2-yl)-N-phenyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-phenyl-1-[3-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-[[3-(trifluoromethyl)phenyl]methyl]-4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine

C124H106BrClF6N30O6 — CID 161143030

IUPAC1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;8-(2-chlorophenyl)-16-(1-piperidin-4-ylpyrazol-4-yl)-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaene;3-[(4-methoxyphenyl)methyl]-7,8-dihydro-6H-pyrazolo[4,3-a][3,7]phenanthrolin-9-one;1-(5-methylfuran-2-yl)-N-phenyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-phenyl-1-[3-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-[[3-(trifluoromethyl)phenyl]methyl]-4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine
SMILESCC(=O)N1CCc2c(cnc3n[nH]c(Br)c23)C1.COc1ccc(Cn2ncc3c4c(cnc32)CCc2[nH]c(=O)ccc2-4)cc1.Cc1ccc(-c2[nH]nc3ncc4c(c23)CCN(C(=O)Nc2ccccc2)C4)o1.Clc1ccccc1C1Cc2cnc3n[nH]c(-c4cnn(C5CCNCC5)c4)c3c2-c2ccccc21.FC(F)(F)c1cccc(CNc2ncc3c(n2)CCc2cnc4[nH]ncc4c2-3)c1.O=C(Nc1ccccc1)N1CCc2c(cnc3n[nH]c(-c4cccc(C(F)(F)F)c4)c23)C1
InChIInChI=1S/C28H25ClN6.C23H18F3N5O.C21H19N5O2.C21H18N4O2.C20H15F3N6.C11H11BrN4O/c29-24-8-4-3-6-21(24)23-13-17-14-31-28-26(25(17)22-7-2-1-5-20(22)23)27(33-34-28)18-15-32-35(16-18)19-9-11-30-12-10-19;24-23(25,26)16-6-4-5-14(11-16)20-19-18-9-10-31(13-15(18)12-27-21(19)30-29-20)22(32)28-17-7-2-1-3-8-17;1-13-7-8-17(28-13)19-18-16-9-10-26(12-14(16)11-22-20(18)25-24-19)21(27)23-15-5-3-2-4-6-15;1-27-15-5-2-13(3-6-15)12-25-21-17(11-23-25)20-14(10-22-21)4-8-18-16(20)7-9-19(26)24-18;21-20(22,23)13-3-1-2-11(6-13)7-25-19-26-9-14-16(28-19)5-4-12-8-24-18-15(17(12)14)10-27-29-18;1-6(17)16-3-2-8-7(5-16)4-13-11-9(8)10(12)14-15-11/h1-8,14-16,19,23,30H,9-13H2,(H,31,33,34);1-8,11-12H,9-10,13H2,(H,28,32)(H,27,29,30);2-8,11H,9-10,12H2,1H3,(H,23,27)(H,22,24,25);2-3,5-7,9-11H,4,8,12H2,1H3,(H,24,26);1-3,6,8-10H,4-5,7H2,(H,24,27,29)(H,25,26,28);4H,2-3,5H2,1H3,(H,13,14,15)
InChIKeyUNRRGRIORBBUMP-UHFFFAOYSA-N
MW2341.76 g/mol
LogP23.82
Rot. Bonds13

About 1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;8-(2-chlorophenyl)-16-(1-piperidin-4-ylpyrazol-4-yl)-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaene;3-[(4-methoxyphenyl)methyl]-7,8-dihydro-6H-pyrazolo[4,3-a][3,7]phenanthrolin-9-one;1-(5-methylfuran-2-yl)-N-phenyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-phenyl-1-[3-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-[[3-(trifluoromethyl)phenyl]methyl]-4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine

1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;8-(2-chlorophenyl)-16-(1-piperidin-4-ylpyrazol-4-yl)-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaene;3-[(4-methoxyphenyl)methyl]-7,8-dihydro-6H-pyrazolo[4,3-a][3,7]phenanthrolin-9-one;1-(5-methylfuran-2-yl)-N-phenyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-phenyl-1-[3-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-[[3-(trifluoromethyl)phenyl]methyl]-4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine (PubChem CID 161143030) has the molecular formula C124H106BrClF6N30O6 and a molecular weight of 2341.76 g/mol. Its IUPAC name is 1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;8-(2-chlorophenyl)-16-(1-piperidin-4-ylpyrazol-4-yl)-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaene;3-[(4-methoxyphenyl)methyl]-7,8-dihydro-6H-pyrazolo[4,3-a][3,7]phenanthrolin-9-one;1-(5-methylfuran-2-yl)-N-phenyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-phenyl-1-[3-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-[[3-(trifluoromethyl)phenyl]methyl]-4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine.

Molecular Properties

Compound Name1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;8-(2-chlorophenyl)-16-(1-piperidin-4-ylpyrazol-4-yl)-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaene;3-[(4-methoxyphenyl)methyl]-7,8-dihydro-6H-pyrazolo[4,3-a][3,7]phenanthrolin-9-one;1-(5-methylfuran-2-yl)-N-phenyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-phenyl-1-[3-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-[[3-(trifluoromethyl)phenyl]methyl]-4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine
PubChem CID161143030
Molecular FormulaC124H106BrClF6N30O6
Molecular Weight2341.76 g/mol
Exact Mass2338.77
IUPAC Name1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;8-(2-chlorophenyl)-16-(1-piperidin-4-ylpyrazol-4-yl)-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaene;3-[(4-methoxyphenyl)methyl]-7,8-dihydro-6H-pyrazolo[4,3-a][3,7]phenanthrolin-9-one;1-(5-methylfuran-2-yl)-N-phenyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-phenyl-1-[3-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-[[3-(trifluoromethyl)phenyl]methyl]-4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine
SMILESCC(=O)N1CCc2c(cnc3n[nH]c(Br)c23)C1.COc1ccc(Cn2ncc3c4c(cnc32)CCc2[nH]c(=O)ccc2-4)cc1.Cc1ccc(-c2[nH]nc3ncc4c(c23)CCN(C(=O)Nc2ccccc2)C4)o1.Clc1ccccc1C1Cc2cnc3n[nH]c(-c4cnn(C5CCNCC5)c4)c3c2-c2ccccc21.FC(F)(F)c1cccc(CNc2ncc3c(n2)CCc2cnc4[nH]ncc4c2-3)c1.O=C(Nc1ccccc1)N1CCc2c(cnc3n[nH]c(-c4cccc(C(F)(F)F)c4)c23)C1
InChIInChI=1S/C28H25ClN6.C23H18F3N5O.C21H19N5O2.C21H18N4O2.C20H15F3N6.C11H11BrN4O/c29-24-8-4-3-6-21(24)23-13-17-14-31-28-26(25(17)22-7-2-1-5-20(22)23)27(33-34-28)18-15-32-35(16-18)19-9-11-30-12-10-19;24-23(25,26)16-6-4-5-14(11-16)20-19-18-9-10-31(13-15(18)12-27-21(19)30-29-20)22(32)28-17-7-2-1-3-8-17;1-13-7-8-17(28-13)19-18-16-9-10-26(12-14(16)11-22-20(18)25-24-19)21(27)23-15-5-3-2-4-6-15;1-27-15-5-2-13(3-6-15)12-25-21-17(11-23-25)20-14(10-22-21)4-8-18-16(20)7-9-19(26)24-18;21-20(22,23)13-3-1-2-11(6-13)7-25-19-26-9-14-16(28-19)5-4-12-8-24-18-15(17(12)14)10-27-29-18;1-6(17)16-3-2-8-7(5-16)4-13-11-9(8)10(12)14-15-11/h1-8,14-16,19,23,30H,9-13H2,(H,31,33,34);1-8,11-12H,9-10,13H2,(H,28,32)(H,27,29,30);2-8,11H,9-10,12H2,1H3,(H,23,27)(H,22,24,25);2-3,5-7,9-11H,4,8,12H2,1H3,(H,24,26);1-3,6,8-10H,4-5,7H2,(H,24,27,29)(H,25,26,28);4H,2-3,5H2,1H3,(H,13,14,15)
InChIKeyUNRRGRIORBBUMP-UHFFFAOYSA-N
XLogP23.82
TPSA446.44 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds13
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002341.76
LogP ≤ 523.82
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;8-(2-chlorophenyl)-16-(1-piperidin-4-ylpyrazol-4-yl)-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaene;3-[(4-methoxyphenyl)methyl]-7,8-dihydro-6H-pyrazolo[4,3-a][3,7]phenanthrolin-9-one;1-(5-methylfuran-2-yl)-N-phenyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-phenyl-1-[3-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-[[3-(trifluoromethyl)phenyl]methyl]-4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine with MolForge

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Related Compounds

7-N-[(4-acetylphenyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 157273992
CID 157289626
CID 157289626
CID 158932832
CID 158932832
CID 159559892
CID 159559892
(1R,3S,5R)-2-[2-(3-acetyl-5-pyrazolo[1,5-a]pyrimidin-6-ylindazol-1-yl)acetyl]-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(2S,4R)-1-[2-(3-acetyl-5-pyrazolo[1,5-a]pyrimidin-6-ylindazol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-(3-acetyl-5-pyrazolo[1,5-a]pyrimidin-6-ylindazol-1-yl)acetyl]-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-carboxamide;(1R,3S,5R)-2-[2-(3-acetyl-5-pyrazolo[1,5-a]pyrimidin-6-ylindazol-1-yl)acetyl]-N-[2-fluoro-3-(trifluoromethoxy)phenyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 159906656
7-N-[(4-acetylphenyl)methyl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3,4-difluorophenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(4-fluoro-3-methylphenyl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 159975927
CID 160619109
CID 160619109
1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;tert-butyl 2-[3-(7-acetyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl)phenyl]acetate;1-(5-methylfuran-2-yl)-N-phenyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-[3-(4-morpholin-4-ylbutanoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-phenyl-1-[3-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;1-[3-(6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridin-1-yl)phenyl]propan-2-one
CID 161706790
CID 162041747
CID 162041747
5-chloro-3-[4-[(2S)-2-ethyl-3,3-dimethylbutyl]-6-(furan-2-yl)pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-phenylpyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;2-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;3-[4-(5-cyclopropylfuran-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridine
CID 157140928
2-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(1-methylpyrrol-3-yl)pyrimidin-4-amine;3-[4-(5-cyclopropylfuran-2-yl)-6-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[5-[2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-4-yl]furan-2-yl]morpholine
CID 159528465
CID 159603363
CID 159603363

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;8-(2-chlorophenyl)-16-(1-piperidin-4-ylpyrazol-4-yl)-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaene;3-[(4-methoxyphenyl)methyl]-7,8-dihydro-6H-pyrazolo[4,3-a][3,7]phenanthrolin-9-one;1-(5-methylfuran-2-yl)-N-phenyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-phenyl-1-[3-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-[[3-(trifluoromethyl)phenyl]methyl]-4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine?
The IUPAC name of 1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;8-(2-chlorophenyl)-16-(1-piperidin-4-ylpyrazol-4-yl)-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaene;3-[(4-methoxyphenyl)methyl]-7,8-dihydro-6H-pyrazolo[4,3-a][3,7]phenanthrolin-9-one;1-(5-methylfuran-2-yl)-N-phenyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-phenyl-1-[3-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-[[3-(trifluoromethyl)phenyl]methyl]-4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine (CID 161143030) is 1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;8-(2-chlorophenyl)-16-(1-piperidin-4-ylpyrazol-4-yl)-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaene;3-[(4-methoxyphenyl)methyl]-7,8-dihydro-6H-pyrazolo[4,3-a][3,7]phenanthrolin-9-one;1-(5-methylfuran-2-yl)-N-phenyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-phenyl-1-[3-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-[[3-(trifluoromethyl)phenyl]methyl]-4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine.
What is the SMILES notation for 1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;8-(2-chlorophenyl)-16-(1-piperidin-4-ylpyrazol-4-yl)-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaene;3-[(4-methoxyphenyl)methyl]-7,8-dihydro-6H-pyrazolo[4,3-a][3,7]phenanthrolin-9-one;1-(5-methylfuran-2-yl)-N-phenyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-phenyl-1-[3-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-[[3-(trifluoromethyl)phenyl]methyl]-4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine?
The canonical SMILES for 1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;8-(2-chlorophenyl)-16-(1-piperidin-4-ylpyrazol-4-yl)-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaene;3-[(4-methoxyphenyl)methyl]-7,8-dihydro-6H-pyrazolo[4,3-a][3,7]phenanthrolin-9-one;1-(5-methylfuran-2-yl)-N-phenyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-phenyl-1-[3-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-[[3-(trifluoromethyl)phenyl]methyl]-4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine is CC(=O)N1CCc2c(cnc3n[nH]c(Br)c23)C1.COc1ccc(Cn2ncc3c4c(cnc32)CCc2[nH]c(=O)ccc2-4)cc1.Cc1ccc(-c2[nH]nc3ncc4c(c23)CCN(C(=O)Nc2ccccc2)C4)o1.Clc1ccccc1C1Cc2cnc3n[nH]c(-c4cnn(C5CCNCC5)c4)c3c2-c2ccccc21.FC(F)(F)c1cccc(CNc2ncc3c(n2)CCc2cnc4[nH]ncc4c2-3)c1.O=C(Nc1ccccc1)N1CCc2c(cnc3n[nH]c(-c4cccc(C(F)(F)F)c4)c23)C1.
What is the InChIKey of 1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;8-(2-chlorophenyl)-16-(1-piperidin-4-ylpyrazol-4-yl)-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaene;3-[(4-methoxyphenyl)methyl]-7,8-dihydro-6H-pyrazolo[4,3-a][3,7]phenanthrolin-9-one;1-(5-methylfuran-2-yl)-N-phenyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-phenyl-1-[3-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-[[3-(trifluoromethyl)phenyl]methyl]-4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine?
The InChIKey is UNRRGRIORBBUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN6.C23H18F3N5O.C21H19N5O2.C21H18N4O2.C20H15F3N6.C11H11BrN4O/c29-24-8-4-3-6-21(24)23-13-17-14-31-28-26(25(17)22-7-2-1-5-20(22)23)27(33-34-28)18-15-32-35(16-18)19-9-11-30-12-10-19;24-23(25,26)16-6-4-5-14(11-16)20-19-18-9-10-31(13-15(18)12-27-21(19)30-29-20)22(32)28-17-7-2-1-3-8-17;1-13-7-8-17(28-13)19-18-16-9-10-26(12-14(16)11-22-20(18)25-24-19)21(27)23-15-5-3-2-4-6-15;1-27-15-5-2-13(3-6-15)12-25-21-17(11-23-25)20-14(10-22-21)4-8-18-16(20)7-9-19(26)24-18;21-20(22,23)13-3-1-2-11(6-13)7-25-19-26-9-14-16(28-19)5-4-12-8-24-18-15(17(12)14)10-27-29-18;1-6(17)16-3-2-8-7(5-16)4-13-11-9(8)10(12)14-15-11/h1-8,14-16,19,23,30H,9-13H2,(H,31,33,34);1-8,11-12H,9-10,13H2,(H,28,32)(H,27,29,30);2-8,11H,9-10,12H2,1H3,(H,23,27)(H,22,24,25);2-3,5-7,9-11H,4,8,12H2,1H3,(H,24,26);1-3,6,8-10H,4-5,7H2,(H,24,27,29)(H,25,26,28);4H,2-3,5H2,1H3,(H,13,14,15).
What are the key properties of 1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;8-(2-chlorophenyl)-16-(1-piperidin-4-ylpyrazol-4-yl)-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaene;3-[(4-methoxyphenyl)methyl]-7,8-dihydro-6H-pyrazolo[4,3-a][3,7]phenanthrolin-9-one;1-(5-methylfuran-2-yl)-N-phenyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-phenyl-1-[3-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-[[3-(trifluoromethyl)phenyl]methyl]-4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine?
1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;8-(2-chlorophenyl)-16-(1-piperidin-4-ylpyrazol-4-yl)-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaene;3-[(4-methoxyphenyl)methyl]-7,8-dihydro-6H-pyrazolo[4,3-a][3,7]phenanthrolin-9-one;1-(5-methylfuran-2-yl)-N-phenyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-phenyl-1-[3-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-[[3-(trifluoromethyl)phenyl]methyl]-4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine has a molecular weight of 2341.76 g/mol, XLogP of 23.82, 13 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;8-(2-chlorophenyl)-16-(1-piperidin-4-ylpyrazol-4-yl)-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaene;3-[(4-methoxyphenyl)methyl]-7,8-dihydro-6H-pyrazolo[4,3-a][3,7]phenanthrolin-9-one;1-(5-methylfuran-2-yl)-N-phenyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-phenyl-1-[3-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide;N-[[3-(trifluoromethyl)phenyl]methyl]-4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-5-amine is sourced from PubChem (CID 161143030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).