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

C70H59F3N30O4 — CID 157078504

IUPAC5-[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
SMILESCCc1cc(Nc2cnnc(-c3ccc4[nH][nH]c(=O)c4c3)n2)n[nH]1.Cc1cc(Nc2cnnc(-c3ccc4[nH][nH]c(=O)c4c3)c2)n[nH]1.O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3cc(-c4ccncc4)nc(Nc4cc(C5CC5)[nH]n4)n3)cc12.O=c1[nH][nH]c2ccc(-c3cnnc(Nc4cc(C5CC5)[nH]n4)c3)cc12
InChIInChI=1S/C23H17F3N8O.C17H15N7O.C15H14N8O.C15H13N7O/c24-23(25,26)15-8-19-14(21(35)34-32-19)7-13(15)18-9-16(12-3-5-27-6-4-12)28-22(29-18)30-20-10-17(31-33-20)11-1-2-11;25-17-12-5-10(3-4-13(12)20-24-17)11-6-15(22-18-8-11)19-16-7-14(21-23-16)9-1-2-9;1-2-9-6-12(21-19-9)17-13-7-16-22-14(18-13)8-3-4-11-10(5-8)15(24)23-20-11;1-8-4-14(21-18-8)17-10-6-13(19-16-7-10)9-2-3-12-11(5-9)15(23)22-20-12/h3-11H,1-2H2,(H2,32,34,35)(H2,28,29,30,31,33);3-9H,1-2H2,(H2,20,24,25)(H2,19,21,22,23);3-7H,2H2,1H3,(H2,20,23,24)(H2,17,18,19,21,22);2-7H,1H3,(H2,20,22,23)(H2,17,18,19,21)
InChIKeyADGIQLHTBYOPLQ-UHFFFAOYSA-N
MW1441.44 g/mol
LogP11.22
Rot. Bonds16

About 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

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 (PubChem CID 157078504) has the molecular formula C70H59F3N30O4 and a molecular weight of 1441.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID157078504
Molecular FormulaC70H59F3N30O4
Molecular Weight1441.44 g/mol
Exact Mass1440.53
IUPAC Name5-[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
SMILESCCc1cc(Nc2cnnc(-c3ccc4[nH][nH]c(=O)c4c3)n2)n[nH]1.Cc1cc(Nc2cnnc(-c3ccc4[nH][nH]c(=O)c4c3)c2)n[nH]1.O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3cc(-c4ccncc4)nc(Nc4cc(C5CC5)[nH]n4)n3)cc12.O=c1[nH][nH]c2ccc(-c3cnnc(Nc4cc(C5CC5)[nH]n4)c3)cc12
InChIInChI=1S/C23H17F3N8O.C17H15N7O.C15H14N8O.C15H13N7O/c24-23(25,26)15-8-19-14(21(35)34-32-19)7-13(15)18-9-16(12-3-5-27-6-4-12)28-22(29-18)30-20-10-17(31-33-20)11-1-2-11;25-17-12-5-10(3-4-13(12)20-24-17)11-6-15(22-18-8-11)19-16-7-14(21-23-16)9-1-2-9;1-2-9-6-12(21-19-9)17-13-7-16-22-14(18-13)8-3-4-11-10(5-8)15(24)23-20-11;1-8-4-14(21-18-8)17-10-6-13(19-16-7-10)9-2-3-12-11(5-9)15(23)22-20-12/h3-11H,1-2H2,(H2,32,34,35)(H2,28,29,30,31,33);3-9H,1-2H2,(H2,20,24,25)(H2,19,21,22,23);3-7H,2H2,1H3,(H2,20,23,24)(H2,17,18,19,21,22);2-7H,1H3,(H2,20,22,23)(H2,17,18,19,21)
InChIKeyADGIQLHTBYOPLQ-UHFFFAOYSA-N
XLogP11.22
TPSA486.34 Ų
H-Bond Donors16
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001441.44
LogP ≤ 511.22
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-N-[[4-[2-[[1-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]pyrazol-3-yl]amino]-5-fluoropyrimidin-4-yl]-2-methylphenyl]methyl]triazole-4-carboxamide
CID 177645585
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58935822
5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]pteridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58935828
5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-ylpyrimidin-4-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58936119
5-[4-(5-aminopyridin-3-yl)-6-(1H-indazol-3-ylamino)-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58936223
5-[1-[5-[3-carbamoyl-1-[2-[2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-4-pyridinyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridazin-3-yl]pyridazin-1-ium-4-yl]-1-[2-[4-fluoro-2-[[2-(5-methyl-3-oxopyrazolidin-1-yl)-3-pyridinyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 123927541
5-[7-(difluoromethyl)-3-[1-[5-[7-(difluoromethyl)-3-[1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-indol-7-yl]ethyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-7-yl]ethyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide
CID 132181501
3-[7-(difluoromethyl)-6-[1-[2-[[3-[6-[1-methyl-5-[[4-[2-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrazol-1-yl]methyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)indazole-5-carbonyl]amino]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)indazole-5-carboxamide
CID 132181733
2-fluoro-N-[5-[5-[4-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-1,2-dimethylimidazol-4-yl]phenyl]pyrimidin-2-yl]-2-(4-fluorophenyl)pyrazol-3-yl]-5-(1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 137091868
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[6-[4-[5-[[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carbonyl]amino]pyridazin-4-yl]piperazin-1-yl]-3-(trifluoromethyl)pyridazin-4-yl]-1H-indole-2-carboxamide
CID 137387422
6-[4-[2-[6-(1H-indazol-5-ylamino)-2-[2-(pyridin-4-ylcarbamoyl)-2,3-dihydro-1H-indol-6-yl]pyrimidin-4-yl]-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 137387849
5-(4-cyclopropylimidazol-1-yl)-N-[4-[2-[3-[6-[5-(4-cyclopropylimidazol-1-yl)-3-oxo-6-piperidin-1-yl-1H-isoindol-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
CID 137435765

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(Nc2cnnc(-c3ccc4[nH][nH]c(=O)c4c3)n2)n[nH]1.Cc1cc(Nc2cnnc(-c3ccc4[nH][nH]c(=O)c4c3)c2)n[nH]1.O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3cc(-c4ccncc4)nc(Nc4cc(C5CC5)[nH]n4)n3)cc12.O=c1[nH][nH]c2ccc(-c3cnnc(Nc4cc(C5CC5)[nH]n4)c3)cc12.
What is the InChIKey of 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?
The InChIKey is ADGIQLHTBYOPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N8O.C17H15N7O.C15H14N8O.C15H13N7O/c24-23(25,26)15-8-19-14(21(35)34-32-19)7-13(15)18-9-16(12-3-5-27-6-4-12)28-22(29-18)30-20-10-17(31-33-20)11-1-2-11;25-17-12-5-10(3-4-13(12)20-24-17)11-6-15(22-18-8-11)19-16-7-14(21-23-16)9-1-2-9;1-2-9-6-12(21-19-9)17-13-7-16-22-14(18-13)8-3-4-11-10(5-8)15(24)23-20-11;1-8-4-14(21-18-8)17-10-6-13(19-16-7-10)9-2-3-12-11(5-9)15(23)22-20-12/h3-11H,1-2H2,(H2,32,34,35)(H2,28,29,30,31,33);3-9H,1-2H2,(H2,20,24,25)(H2,19,21,22,23);3-7H,2H2,1H3,(H2,20,23,24)(H2,17,18,19,21,22);2-7H,1H3,(H2,20,22,23)(H2,17,18,19,21).
What are the key properties of 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?
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 has a molecular weight of 1441.44 g/mol, XLogP of 11.22, 16 rotatable bonds, 16 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157078504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).