5-[3-[(5-butyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-5-yl]-1,2-dihydroindazol-3-one;4-chloro-5-[3-[2-(dimethylamino)ethylamino]-6-(1H-indazol-3-ylamino)pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-3-(2-piperidin-1-ylethylamino)pyridazin-4-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one

C84H85ClF3N33O4 — CID 157096457

IUPAC5-[3-[(5-butyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-5-yl]-1,2-dihydroindazol-3-one;4-chloro-5-[3-[2-(dimethylamino)ethylamino]-6-(1H-indazol-3-ylamino)pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-3-(2-piperidin-1-ylethylamino)pyridazin-4-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
SMILESCCCCc1cc(Nc2nncc(-c3ccc4[nH][nH]c(=O)c4c3)n2)n[nH]1.CN(C)CCNc1nnc(Nc2n[nH]c3ccccc23)cc1-c1ccc2[nH][nH]c(=O)c2c1Cl.O=c1[nH][nH]c2ccc(-c3cc(Nc4n[nH]c5ccccc45)nnc3NCCN3CCCCC3)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3cnnc(Nc4cc(C5CCCC5)[nH]n4)c3)cc12
InChIInChI=1S/C26H26F3N9O.C22H22ClN9O.C19H19N7O.C17H18N8O/c27-26(28,29)22-15(8-9-19-21(22)25(39)37-33-19)17-14-20(31-24-16-6-2-3-7-18(16)32-36-24)34-35-23(17)30-10-13-38-11-4-1-5-12-38;1-32(2)10-9-24-20-14(12-7-8-16-18(19(12)23)22(33)31-27-16)11-17(28-29-20)25-21-13-5-3-4-6-15(13)26-30-21;27-19-14-7-12(5-6-15(14)22-26-19)13-8-17(24-20-10-13)21-18-9-16(23-25-18)11-3-1-2-4-11;1-2-3-4-11-8-15(23-21-11)20-17-19-14(9-18-25-17)10-5-6-13-12(7-10)16(26)24-22-13/h2-3,6-9,14H,1,4-5,10-13H2,(H,30,35)(H2,33,37,39)(H2,31,32,34,36);3-8,11H,9-10H2,1-2H3,(H,24,29)(H2,27,31,33)(H2,25,26,28,30);5-11H,1-4H2,(H2,22,26,27)(H2,21,23,24,25);5-9H,2-4H2,1H3,(H2,22,24,26)(H2,19,20,21,23,25)
InChIKeyAFGOCBQNAJUMQY-UHFFFAOYSA-N
MW1713.28 g/mol
LogP14.36
Rot. Bonds24

About 5-[3-[(5-butyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-5-yl]-1,2-dihydroindazol-3-one;4-chloro-5-[3-[2-(dimethylamino)ethylamino]-6-(1H-indazol-3-ylamino)pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-3-(2-piperidin-1-ylethylamino)pyridazin-4-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one

5-[3-[(5-butyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-5-yl]-1,2-dihydroindazol-3-one;4-chloro-5-[3-[2-(dimethylamino)ethylamino]-6-(1H-indazol-3-ylamino)pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-3-(2-piperidin-1-ylethylamino)pyridazin-4-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one (PubChem CID 157096457) has the molecular formula C84H85ClF3N33O4 and a molecular weight of 1713.28 g/mol. Its IUPAC name is 5-[3-[(5-butyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-5-yl]-1,2-dihydroindazol-3-one;4-chloro-5-[3-[2-(dimethylamino)ethylamino]-6-(1H-indazol-3-ylamino)pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-3-(2-piperidin-1-ylethylamino)pyridazin-4-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-[3-[(5-butyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-5-yl]-1,2-dihydroindazol-3-one;4-chloro-5-[3-[2-(dimethylamino)ethylamino]-6-(1H-indazol-3-ylamino)pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-3-(2-piperidin-1-ylethylamino)pyridazin-4-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
PubChem CID157096457
Molecular FormulaC84H85ClF3N33O4
Molecular Weight1713.28 g/mol
Exact Mass1711.71
IUPAC Name5-[3-[(5-butyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-5-yl]-1,2-dihydroindazol-3-one;4-chloro-5-[3-[2-(dimethylamino)ethylamino]-6-(1H-indazol-3-ylamino)pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-3-(2-piperidin-1-ylethylamino)pyridazin-4-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
SMILESCCCCc1cc(Nc2nncc(-c3ccc4[nH][nH]c(=O)c4c3)n2)n[nH]1.CN(C)CCNc1nnc(Nc2n[nH]c3ccccc23)cc1-c1ccc2[nH][nH]c(=O)c2c1Cl.O=c1[nH][nH]c2ccc(-c3cc(Nc4n[nH]c5ccccc45)nnc3NCCN3CCCCC3)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3cnnc(Nc4cc(C5CCCC5)[nH]n4)c3)cc12
InChIInChI=1S/C26H26F3N9O.C22H22ClN9O.C19H19N7O.C17H18N8O/c27-26(28,29)22-15(8-9-19-21(22)25(39)37-33-19)17-14-20(31-24-16-6-2-3-7-18(16)32-36-24)34-35-23(17)30-10-13-38-11-4-1-5-12-38;1-32(2)10-9-24-20-14(12-7-8-16-18(19(12)23)22(33)31-27-16)11-17(28-29-20)25-21-13-5-3-4-6-15(13)26-30-21;27-19-14-7-12(5-6-15(14)22-26-19)13-8-17(24-20-10-13)21-18-9-16(23-25-18)11-3-1-2-4-11;1-2-3-4-11-8-15(23-21-11)20-17-19-14(9-18-25-17)10-5-6-13-12(7-10)16(26)24-22-13/h2-3,6-9,14H,1,4-5,10-13H2,(H,30,35)(H2,33,37,39)(H2,31,32,34,36);3-8,11H,9-10H2,1-2H3,(H,24,29)(H2,27,31,33)(H2,25,26,28,30);5-11H,1-4H2,(H2,22,26,27)(H2,21,23,24,25);5-9H,2-4H2,1H3,(H2,22,24,26)(H2,19,20,21,23,25)
InChIKeyAFGOCBQNAJUMQY-UHFFFAOYSA-N
XLogP14.36
TPSA503.99 Ų
H-Bond Donors18
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001713.28
LogP ≤ 514.36
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1025

Analyze 5-[3-[(5-butyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-5-yl]-1,2-dihydroindazol-3-one;4-chloro-5-[3-[2-(dimethylamino)ethylamino]-6-(1H-indazol-3-ylamino)pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-3-(2-piperidin-1-ylethylamino)pyridazin-4-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one with MolForge

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Related Compounds

(4-chloro-2-fluorophenyl)-[1-(5-fluoropyrimidin-2-yl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[(4S)-1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;[6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone
CID 90409431
2-[7-(difluoromethyl)-4-[2-[5-[7-(difluoromethyl)-4-[2-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-indol-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N,5-dimethylpyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 138655261
6-chloro-5-[5-(1H-indazol-3-ylamino)-1,6-naphthyridin-7-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[1-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroisoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[8-(1H-indazol-3-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-4-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 157055397
5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-ylpyrimidin-4-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[5-[(5-ethyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-3-yl]-1,2-dihydroindazol-3-one;5-[5-[(5-methyl-1H-pyrazol-3-yl)amino]pyridazin-3-yl]-1,2-dihydroindazol-3-one
CID 157078504
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylisoindol-2-yl)pentan-2-one;3-[2-[(2R)-5-[6-(aminomethyl)-1H-indol-3-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-(5,6-dimethylbenzimidazol-1-yl)butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-7-methyl-4-oxo-5-[3-(trifluoromethyl)pyrazol-1-yl]octan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157158955
(5-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5,6-difluoro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;2H-pyrazolo[3,4-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[3,2-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-c]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157188127
(3S,4R)-1-[2-[(2S)-1-(3,6-dichloropyridine-2-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(4,5-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 157212630
5-[6-benzyl-4-[(5-fluoro-1H-indazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 157683570
CID 157784565
CID 157784565
(7-chloro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5,6-difluoro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(7-fluoro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-1-propan-2-ylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1-propan-2-ylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;2H-pyrazolo[3,4-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrazolo[4,3-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157805183
5-[4-[(5-butyl-1H-pyrazol-3-yl)amino]-6-cyclopropyl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 157887985
5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethyl-1H-indazole-7-carboxamide;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine
CID 158196289

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(5-butyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-5-yl]-1,2-dihydroindazol-3-one;4-chloro-5-[3-[2-(dimethylamino)ethylamino]-6-(1H-indazol-3-ylamino)pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-3-(2-piperidin-1-ylethylamino)pyridazin-4-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The IUPAC name of 5-[3-[(5-butyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-5-yl]-1,2-dihydroindazol-3-one;4-chloro-5-[3-[2-(dimethylamino)ethylamino]-6-(1H-indazol-3-ylamino)pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-3-(2-piperidin-1-ylethylamino)pyridazin-4-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one (CID 157096457) is 5-[3-[(5-butyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-5-yl]-1,2-dihydroindazol-3-one;4-chloro-5-[3-[2-(dimethylamino)ethylamino]-6-(1H-indazol-3-ylamino)pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-3-(2-piperidin-1-ylethylamino)pyridazin-4-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-[3-[(5-butyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-5-yl]-1,2-dihydroindazol-3-one;4-chloro-5-[3-[2-(dimethylamino)ethylamino]-6-(1H-indazol-3-ylamino)pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-3-(2-piperidin-1-ylethylamino)pyridazin-4-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-[3-[(5-butyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-5-yl]-1,2-dihydroindazol-3-one;4-chloro-5-[3-[2-(dimethylamino)ethylamino]-6-(1H-indazol-3-ylamino)pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-3-(2-piperidin-1-ylethylamino)pyridazin-4-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one is CCCCc1cc(Nc2nncc(-c3ccc4[nH][nH]c(=O)c4c3)n2)n[nH]1.CN(C)CCNc1nnc(Nc2n[nH]c3ccccc23)cc1-c1ccc2[nH][nH]c(=O)c2c1Cl.O=c1[nH][nH]c2ccc(-c3cc(Nc4n[nH]c5ccccc45)nnc3NCCN3CCCCC3)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3cnnc(Nc4cc(C5CCCC5)[nH]n4)c3)cc12.
What is the InChIKey of 5-[3-[(5-butyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-5-yl]-1,2-dihydroindazol-3-one;4-chloro-5-[3-[2-(dimethylamino)ethylamino]-6-(1H-indazol-3-ylamino)pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-3-(2-piperidin-1-ylethylamino)pyridazin-4-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The InChIKey is AFGOCBQNAJUMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N9O.C22H22ClN9O.C19H19N7O.C17H18N8O/c27-26(28,29)22-15(8-9-19-21(22)25(39)37-33-19)17-14-20(31-24-16-6-2-3-7-18(16)32-36-24)34-35-23(17)30-10-13-38-11-4-1-5-12-38;1-32(2)10-9-24-20-14(12-7-8-16-18(19(12)23)22(33)31-27-16)11-17(28-29-20)25-21-13-5-3-4-6-15(13)26-30-21;27-19-14-7-12(5-6-15(14)22-26-19)13-8-17(24-20-10-13)21-18-9-16(23-25-18)11-3-1-2-4-11;1-2-3-4-11-8-15(23-21-11)20-17-19-14(9-18-25-17)10-5-6-13-12(7-10)16(26)24-22-13/h2-3,6-9,14H,1,4-5,10-13H2,(H,30,35)(H2,33,37,39)(H2,31,32,34,36);3-8,11H,9-10H2,1-2H3,(H,24,29)(H2,27,31,33)(H2,25,26,28,30);5-11H,1-4H2,(H2,22,26,27)(H2,21,23,24,25);5-9H,2-4H2,1H3,(H2,22,24,26)(H2,19,20,21,23,25).
What are the key properties of 5-[3-[(5-butyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-5-yl]-1,2-dihydroindazol-3-one;4-chloro-5-[3-[2-(dimethylamino)ethylamino]-6-(1H-indazol-3-ylamino)pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-3-(2-piperidin-1-ylethylamino)pyridazin-4-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?
5-[3-[(5-butyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-5-yl]-1,2-dihydroindazol-3-one;4-chloro-5-[3-[2-(dimethylamino)ethylamino]-6-(1H-indazol-3-ylamino)pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-3-(2-piperidin-1-ylethylamino)pyridazin-4-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one has a molecular weight of 1713.28 g/mol, XLogP of 14.36, 24 rotatable bonds, 18 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(5-butyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-5-yl]-1,2-dihydroindazol-3-one;4-chloro-5-[3-[2-(dimethylamino)ethylamino]-6-(1H-indazol-3-ylamino)pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-3-(2-piperidin-1-ylethylamino)pyridazin-4-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one is sourced from PubChem (CID 157096457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).