6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one

C140H120FN21O10 — CID 159206965

IUPAC6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one
SMILESCCCn1nc(-c2ccnc(-c3cnc4ccccc4c3)c2)cc1C(=O)O.CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)CC4.Nc1nn(-c2cccc(-c3ccc4cc[nH]c4c3)c2)cc1-c1ccc2c(c1)CCNC2=O.O=C1CCC2(CCNCC2)c2[nH]c(-c3ccnc(-c4ccc5c(c4)OCO5)n3)cc21.O=C1CCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21.O=C1CCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21
InChIInChI=1S/C29H27N3O2.C26H21N5O.C23H22N4O3.C22H17N3O.C21H18N4O2.C19H15FN2O/c1-15-19(30-3)14-23-31-20-10-6-4-8-16(20)26-25-18(12-13-22(25)33)24-17-9-5-7-11-21(17)32(28(24)27(26)31)29(15,2)34-23;27-25-23(19-6-7-22-20(12-19)9-11-29-26(22)32)15-31(30-25)21-3-1-2-17(13-21)18-5-4-16-8-10-28-24(16)14-18;28-18-3-5-23(6-9-24-10-7-23)21-15(18)12-17(26-21)16-4-8-25-22(27-16)14-1-2-19-20(11-14)30-13-29-19;26-22-7-3-6-19-17(22)12-21(25-19)15-8-9-23-20(11-15)16-10-14-4-1-2-5-18(14)24-13-16;1-2-9-25-20(21(26)27)12-19(24-25)15-7-8-22-18(11-15)16-10-14-5-3-4-6-17(14)23-13-16;20-15-5-2-1-4-13(15)18-10-12(8-9-21-18)17-11-14-16(22-17)6-3-7-19(14)23/h4-11,15,19,23,30H,12-14H2,1-3H3;1-8,10,12-15,28H,9,11H2,(H2,27,30)(H,29,32);1-2,4,8,11-12,24,26H,3,5-7,9-10,13H2;1-2,4-5,8-13,25H,3,6-7H2;3-8,10-13H,2,9H2,1H3,(H,26,27);1-2,4-5,8-11,22H,3,6-7H2/t15-,19-,23-,29+;;;;;/m1...../s1
InChIKeyKPZULRGEDWVYIK-GYXLPVOXSA-N
MW2275.63 g/mol
LogP27.36
Rot. Bonds15

About 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one

6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one (PubChem CID 159206965) has the molecular formula C140H120FN21O10 and a molecular weight of 2275.63 g/mol. Its IUPAC name is 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one
PubChem CID159206965
Molecular FormulaC140H120FN21O10
Molecular Weight2275.63 g/mol
Exact Mass2273.95
IUPAC Name6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one
SMILESCCCn1nc(-c2ccnc(-c3cnc4ccccc4c3)c2)cc1C(=O)O.CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)CC4.Nc1nn(-c2cccc(-c3ccc4cc[nH]c4c3)c2)cc1-c1ccc2c(c1)CCNC2=O.O=C1CCC2(CCNCC2)c2[nH]c(-c3ccnc(-c4ccc5c(c4)OCO5)n3)cc21.O=C1CCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21.O=C1CCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21
InChIInChI=1S/C29H27N3O2.C26H21N5O.C23H22N4O3.C22H17N3O.C21H18N4O2.C19H15FN2O/c1-15-19(30-3)14-23-31-20-10-6-4-8-16(20)26-25-18(12-13-22(25)33)24-17-9-5-7-11-21(17)32(28(24)27(26)31)29(15,2)34-23;27-25-23(19-6-7-22-20(12-19)9-11-29-26(22)32)15-31(30-25)21-3-1-2-17(13-21)18-5-4-16-8-10-28-24(16)14-18;28-18-3-5-23(6-9-24-10-7-23)21-15(18)12-17(26-21)16-4-8-25-22(27-16)14-1-2-19-20(11-14)30-13-29-19;26-22-7-3-6-19-17(22)12-21(25-19)15-8-9-23-20(11-15)16-10-14-4-1-2-5-18(14)24-13-16;1-2-9-25-20(21(26)27)12-19(24-25)15-7-8-22-18(11-15)16-10-14-5-3-4-6-17(14)23-13-16;20-15-5-2-1-4-13(15)18-10-12(8-9-21-18)17-11-14-16(22-17)6-3-7-19(14)23/h4-11,15,19,23,30H,12-14H2,1-3H3;1-8,10,12-15,28H,9,11H2,(H2,27,30)(H,29,32);1-2,4,8,11-12,24,26H,3,5-7,9-10,13H2;1-2,4-5,8-13,25H,3,6-7H2;3-8,10-13H,2,9H2,1H3,(H,26,27);1-2,4-5,8-11,22H,3,6-7H2/t15-,19-,23-,29+;;;;;/m1...../s1
InChIKeyKPZULRGEDWVYIK-GYXLPVOXSA-N
XLogP27.36
TPSA411.34 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002275.63
LogP ≤ 527.36
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one with MolForge

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Related Compounds

7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 157337455
CID 157408408
CID 157408408
3-(1,3-benzodioxol-5-yl)-1-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one;1-[3-(1,1-difluoroethyl)phenyl]-4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol;5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-N-methylpyridin-2-amine;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;3-(1-methylpyrazol-4-yl)-1-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 157921661
3-(1,3-benzodioxol-5-yl)-1-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one;1-[3-(1,1-difluoroethyl)phenyl]-4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol;5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-N-methylpyridin-2-amine;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone;[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]azanium;3-(1-methylpyrazol-4-yl)-1-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 157921662
4-aminobutanoic acid;4-tert-butyl-1-sulfanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane;7-chloro-1-methyl-5-phenyl-5a,9a-dihydro-3H-1,4-benzodiazepin-2-one;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one;methyl 9H-pyrido[3,4-b]indole-3-carboxylate;3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 159210847
CID 159263885
CID 159263885
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-indol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 159843322
CID 159896348
CID 159896348
CID 160199850
CID 160199850
CID 161279472
CID 161279472
CID 161734905
CID 161734905
1,3-dimethyl-5-propan-2-yl-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-7-(4-propan-2-yl-2-pyridinyl)isoquinolin-1-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;7-(4-propan-2-yl-2-pyridinyl)-2H-isoquinolin-1-one;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 162002068

Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one (CID 159206965) is 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one is CCCn1nc(-c2ccnc(-c3cnc4ccccc4c3)c2)cc1C(=O)O.CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)CC4.Nc1nn(-c2cccc(-c3ccc4cc[nH]c4c3)c2)cc1-c1ccc2c(c1)CCNC2=O.O=C1CCC2(CCNCC2)c2[nH]c(-c3ccnc(-c4ccc5c(c4)OCO5)n3)cc21.O=C1CCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21.O=C1CCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21.
What is the InChIKey of 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is KPZULRGEDWVYIK-GYXLPVOXSA-N. The full InChI is InChI=1S/C29H27N3O2.C26H21N5O.C23H22N4O3.C22H17N3O.C21H18N4O2.C19H15FN2O/c1-15-19(30-3)14-23-31-20-10-6-4-8-16(20)26-25-18(12-13-22(25)33)24-17-9-5-7-11-21(17)32(28(24)27(26)31)29(15,2)34-23;27-25-23(19-6-7-22-20(12-19)9-11-29-26(22)32)15-31(30-25)21-3-1-2-17(13-21)18-5-4-16-8-10-28-24(16)14-18;28-18-3-5-23(6-9-24-10-7-23)21-15(18)12-17(26-21)16-4-8-25-22(27-16)14-1-2-19-20(11-14)30-13-29-19;26-22-7-3-6-19-17(22)12-21(25-19)15-8-9-23-20(11-15)16-10-14-4-1-2-5-18(14)24-13-16;1-2-9-25-20(21(26)27)12-19(24-25)15-7-8-22-18(11-15)16-10-14-5-3-4-6-17(14)23-13-16;20-15-5-2-1-4-13(15)18-10-12(8-9-21-18)17-11-14-16(22-17)6-3-7-19(14)23/h4-11,15,19,23,30H,12-14H2,1-3H3;1-8,10,12-15,28H,9,11H2,(H2,27,30)(H,29,32);1-2,4,8,11-12,24,26H,3,5-7,9-10,13H2;1-2,4-5,8-13,25H,3,6-7H2;3-8,10-13H,2,9H2,1H3,(H,26,27);1-2,4-5,8-11,22H,3,6-7H2/t15-,19-,23-,29+;;;;;/m1...../s1.
What are the key properties of 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one?
6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 2275.63 g/mol, XLogP of 27.36, 15 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-amino-1-[3-(1H-indol-6-yl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 159206965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).