bis(6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one);6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[[4-(2-methoxyethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxy-1,2-dihydroindazol-3-one

C97H88N32O11 — CID 159061574

IUPACbis(6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one);6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[[4-(2-methoxyethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxy-1,2-dihydroindazol-3-one
SMILESCOCCNc1cc(Nc2cc(C)[nH]n2)nc(OCc2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cc(Nc2nc(Oc3ccc4c(=O)[nH][nH]c4c3)cc3ccccc23)n[nH]1.O=c1[nH][nH]c2cc(Oc3cc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)ccc12.O=c1[nH][nH]c2cc(Oc3cc(Nc4cc(C5CC5)[nH]n4)ccn3)ccc12.O=c1[nH][nH]c2cc(Oc3cc(Nc4cc(C5CC5)[nH]n4)ccn3)ccc12
InChIInChI=1S/C22H18N6O2.C20H16N6O2.C19H22N8O3.2C18H16N6O2/c29-22-15-8-7-13(9-19(15)26-28-22)30-21-11-18(14-3-1-2-4-16(14)24-21)23-20-10-17(25-27-20)12-5-6-12;1-11-8-17(25-23-11)21-19-14-5-3-2-4-12(14)9-18(22-19)28-13-6-7-15-16(10-13)24-26-20(15)27;1-11-7-17(26-24-11)21-16-9-15(20-5-6-29-2)22-19(23-16)30-10-12-3-4-13-14(8-12)25-27-18(13)28;2*25-18-13-4-3-12(8-15(13)22-24-18)26-17-7-11(5-6-19-17)20-16-9-14(21-23-16)10-1-2-10/h1-4,7-12H,5-6H2,(H2,26,28,29)(H2,23,24,25,27);2-10H,1H3,(H2,24,26,27)(H2,21,22,23,25);3-4,7-9H,5-6,10H2,1-2H3,(H2,25,27,28)(H3,20,21,22,23,24,26);2*3-10H,1-2H2,(H2,22,24,25)(H2,19,20,21,23)
InChIKeyJYNOTNWVJTYLTL-UHFFFAOYSA-N
MW1877.98 g/mol
LogP17.35
Rot. Bonds28

About bis(6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one);6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[[4-(2-methoxyethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxy-1,2-dihydroindazol-3-one

bis(6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one);6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[[4-(2-methoxyethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxy-1,2-dihydroindazol-3-one (PubChem CID 159061574) has the molecular formula C97H88N32O11 and a molecular weight of 1877.98 g/mol. Its IUPAC name is bis(6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one);6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[[4-(2-methoxyethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxy-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Namebis(6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one);6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[[4-(2-methoxyethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxy-1,2-dihydroindazol-3-one
PubChem CID159061574
Molecular FormulaC97H88N32O11
Molecular Weight1877.98 g/mol
Exact Mass1876.73
IUPAC Namebis(6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one);6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[[4-(2-methoxyethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxy-1,2-dihydroindazol-3-one
SMILESCOCCNc1cc(Nc2cc(C)[nH]n2)nc(OCc2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cc(Nc2nc(Oc3ccc4c(=O)[nH][nH]c4c3)cc3ccccc23)n[nH]1.O=c1[nH][nH]c2cc(Oc3cc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)ccc12.O=c1[nH][nH]c2cc(Oc3cc(Nc4cc(C5CC5)[nH]n4)ccn3)ccc12.O=c1[nH][nH]c2cc(Oc3cc(Nc4cc(C5CC5)[nH]n4)ccn3)ccc12
InChIInChI=1S/C22H18N6O2.C20H16N6O2.C19H22N8O3.2C18H16N6O2/c29-22-15-8-7-13(9-19(15)26-28-22)30-21-11-18(14-3-1-2-4-16(14)24-21)23-20-10-17(25-27-20)12-5-6-12;1-11-8-17(25-23-11)21-19-14-5-3-2-4-12(14)9-18(22-19)28-13-6-7-15-16(10-13)24-26-20(15)27;1-11-7-17(26-24-11)21-16-9-15(20-5-6-29-2)22-19(23-16)30-10-12-3-4-13-14(8-12)25-27-18(13)28;2*25-18-13-4-3-12(8-15(13)22-24-18)26-17-7-11(5-6-19-17)20-16-9-14(21-23-16)10-1-2-10/h1-4,7-12H,5-6H2,(H2,26,28,29)(H2,23,24,25,27);2-10H,1H3,(H2,24,26,27)(H2,21,22,23,25);3-4,7-9H,5-6,10H2,1-2H3,(H2,25,27,28)(H3,20,21,22,23,24,26);2*3-10H,1-2H2,(H2,22,24,25)(H2,19,20,21,23)
InChIKeyJYNOTNWVJTYLTL-UHFFFAOYSA-N
XLogP17.35
TPSA591.55 Ų
H-Bond Donors21
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001877.98
LogP ≤ 517.35
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze bis(6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one);6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[[4-(2-methoxyethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxy-1,2-dihydroindazol-3-one with MolForge

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Related Compounds

N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(difluoromethoxy)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(difluoromethoxy)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4,4-difluoropiperidin-1-yl)-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide
CID 157663019
5-[4-(1H-indazol-3-ylamino)-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-methoxy-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one
CID 158080438
N-(3-aminophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3,4-dihydro-1H-isoquinolin-2-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;3-(furan-3-yl)-N-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-naphthalen-1-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;3-(furan-3-yl)-N-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;3-(furan-3-yl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 159486363
5-[3-(6-amino-2-methylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[5-(3-methylanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(3-methylphenyl)-5-(3-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-methylphenyl)-5-[3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-quinolin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-3-amine
CID 160229685
(3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(difluoromethoxy)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4,4-difluoropiperidin-1-yl)-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide
CID 161829907
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-methylindazole-6-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylpyridin-2-one;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide
CID 164971785
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-(2-ethoxyphenyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-isoquinolin-5-yl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;pyrazol-1-yl-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone
CID 157135685
8-[3-[(3R)-3-aminopyrrolidin-1-yl]propyl]-11-(4-hydroxyphenyl)-16-methyl-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-9-one;16-cyclopenta-1,3-dien-1-yl-11-(4-hydroxyphenyl)-5-piperidin-1-yl-8,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,16-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-8-(2-piperazin-1-ylethyl)-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-9-one;11-(4-hydroxyphenyl)-16-methyl-5-(3-piperidin-1-ylpropoxy)-8,12,14-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaen-9-one
CID 157356510
N-[2-(dimethylamino)ethyl]-3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzamide;5-[2-[(3-ethynylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;5-[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;5-[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;N-[2-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;3-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide;N-methyl-3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]benzamide;2-methyl-N-[2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]-1H-indol-5-amine;2-methyl-5-[2-[(4-phenoxyphenyl)methyl]pyrimidin-4-yl]oxy-1H-indole
CID 157632738
4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-6-methyl-3-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-6-methyl-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[3-(4H-pyrazol-3-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide
CID 157661612
5-(1H-indol-6-yl)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(4-methylpentyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-phenyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]ethanone
CID 158110365
3-ethyl-N-[1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]isoquinolin-6-amine;6-[[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]methyl]-3-methyl-2H-isoquinolin-1-one;3-methyl-N-[1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]isoquinolin-6-amine;3-methyl-6-(2H-pyrazolo[4,3-b]pyridin-3-ylmethyl)-2H-isoquinolin-1-one;1-morpholin-4-yl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-[1-(oxan-2-yl)pyrazolo[4,3-b]pyridin-3-yl]-3-propan-2-ylisoquinolin-6-amine
CID 158517617

Frequently Asked Questions

What is the IUPAC name of bis(6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one);6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[[4-(2-methoxyethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxy-1,2-dihydroindazol-3-one?
The IUPAC name of bis(6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one);6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[[4-(2-methoxyethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxy-1,2-dihydroindazol-3-one (CID 159061574) is bis(6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one);6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[[4-(2-methoxyethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxy-1,2-dihydroindazol-3-one.
What is the SMILES notation for bis(6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one);6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[[4-(2-methoxyethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxy-1,2-dihydroindazol-3-one?
The canonical SMILES for bis(6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one);6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[[4-(2-methoxyethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxy-1,2-dihydroindazol-3-one is COCCNc1cc(Nc2cc(C)[nH]n2)nc(OCc2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cc(Nc2nc(Oc3ccc4c(=O)[nH][nH]c4c3)cc3ccccc23)n[nH]1.O=c1[nH][nH]c2cc(Oc3cc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)ccc12.O=c1[nH][nH]c2cc(Oc3cc(Nc4cc(C5CC5)[nH]n4)ccn3)ccc12.O=c1[nH][nH]c2cc(Oc3cc(Nc4cc(C5CC5)[nH]n4)ccn3)ccc12.
What is the InChIKey of bis(6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one);6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[[4-(2-methoxyethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxy-1,2-dihydroindazol-3-one?
The InChIKey is JYNOTNWVJTYLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2.C20H16N6O2.C19H22N8O3.2C18H16N6O2/c29-22-15-8-7-13(9-19(15)26-28-22)30-21-11-18(14-3-1-2-4-16(14)24-21)23-20-10-17(25-27-20)12-5-6-12;1-11-8-17(25-23-11)21-19-14-5-3-2-4-12(14)9-18(22-19)28-13-6-7-15-16(10-13)24-26-20(15)27;1-11-7-17(26-24-11)21-16-9-15(20-5-6-29-2)22-19(23-16)30-10-12-3-4-13-14(8-12)25-27-18(13)28;2*25-18-13-4-3-12(8-15(13)22-24-18)26-17-7-11(5-6-19-17)20-16-9-14(21-23-16)10-1-2-10/h1-4,7-12H,5-6H2,(H2,26,28,29)(H2,23,24,25,27);2-10H,1H3,(H2,24,26,27)(H2,21,22,23,25);3-4,7-9H,5-6,10H2,1-2H3,(H2,25,27,28)(H3,20,21,22,23,24,26);2*3-10H,1-2H2,(H2,22,24,25)(H2,19,20,21,23).
What are the key properties of bis(6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one);6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[[4-(2-methoxyethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxy-1,2-dihydroindazol-3-one?
bis(6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one);6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[[4-(2-methoxyethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxy-1,2-dihydroindazol-3-one has a molecular weight of 1877.98 g/mol, XLogP of 17.35, 28 rotatable bonds, 21 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one);6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[[4-(2-methoxyethylamino)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]oxy-1,2-dihydroindazol-3-one is sourced from PubChem (CID 159061574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).