1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]pyridazin-4-one;1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]pyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[6-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-3-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[2-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-5-yl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]-1-propan-2-ylpyridazin-4-one

C183H149F6N45O18 — CID 167560717

IUPAC1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]pyridazin-4-one;1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]pyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[6-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-3-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[2-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-5-yl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]-1-propan-2-ylpyridazin-4-one
SMILESCC(C)n1cc(-c2ccc(F)cc2)c(=O)c(C(=O)Cc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)cn2)n1.CC(C)n1cc(-c2ccc(F)cc2)c(=O)c(C(=O)Cc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)nc2)n1.CC(C)n1cc(-c2ccc(F)cc2)c(=O)c(C(=O)Cc2cnc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)nc2)n1.CC(C)n1cc(-c2ccc(F)cc2)c(=O)c(C(=O)Cc2ncc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)cn2)n1.Cn1ncc2cc(Oc3ccc(CC(=O)c4nn(C5CC5)cc(-c5ccc(F)cc5)c4=O)nc3)c(-c3cn[nH]c3)cc21.Cn1ncc2cc(Oc3cnc(CC(=O)c4nn(C5CC5)cc(-c5ccc(F)cc5)c4=O)nc3)c(-c3cn[nH]c3)cc21
InChIInChI=1S/C31H24FN7O3.2C31H26FN7O3.C30H23FN8O3.2C30H25FN8O3/c1-38-27-12-25(20-13-34-35-14-20)29(10-19(27)15-36-38)42-24-9-6-22(33-16-24)11-28(40)30-31(41)26(17-39(37-30)23-7-8-23)18-2-4-21(32)5-3-18;1-18(2)39-17-25(20-5-7-23(32)8-6-20)31(41)30(37-39)27(40)10-19-4-9-29(33-13-19)42-28-11-21-16-36-38(3)26(21)12-24(28)22-14-34-35-15-22;1-18(2)39-17-26(19-4-6-22(32)7-5-19)31(41)30(37-39)28(40)11-23-8-9-24(16-33-23)42-29-10-20-15-36-38(3)27(20)12-25(29)21-13-34-35-14-21;1-38-25-9-23(19-11-34-35-12-19)27(8-18(25)13-36-38)42-22-14-32-28(33-15-22)10-26(40)29-30(41)24(16-39(37-29)21-6-7-21)17-2-4-20(31)5-3-17;1-17(2)39-16-24(19-4-6-22(31)7-5-19)29(41)28(37-39)26(40)8-18-11-32-30(33-12-18)42-27-9-20-15-36-38(3)25(20)10-23(27)21-13-34-35-14-21;1-17(2)39-16-24(18-4-6-21(31)7-5-18)30(41)29(37-39)26(40)10-28-32-14-22(15-33-28)42-27-8-19-13-36-38(3)25(19)9-23(27)20-11-34-35-12-20/h2-6,9-10,12-17,23H,7-8,11H2,1H3,(H,34,35);4-9,11-18H,10H2,1-3H3,(H,34,35);4-10,12-18H,11H2,1-3H3,(H,34,35);2-5,8-9,11-16,21H,6-7,10H2,1H3,(H,34,35);4-7,9-17H,8H2,1-3H3,(H,34,35);4-9,11-17H,10H2,1-3H3,(H,34,35)
InChIKeyDPSDNUPXWFQZJY-UHFFFAOYSA-N
MW3380.49 g/mol
LogP30.81
Rot. Bonds48

About 1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]pyridazin-4-one;1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]pyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[6-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-3-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[2-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-5-yl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]-1-propan-2-ylpyridazin-4-one

1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]pyridazin-4-one;1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]pyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[6-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-3-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[2-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-5-yl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]-1-propan-2-ylpyridazin-4-one (PubChem CID 167560717) has the molecular formula C183H149F6N45O18 and a molecular weight of 3380.49 g/mol. Its IUPAC name is 1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]pyridazin-4-one;1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]pyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[6-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-3-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[2-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-5-yl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]-1-propan-2-ylpyridazin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]pyridazin-4-one;1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]pyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[6-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-3-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[2-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-5-yl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]-1-propan-2-ylpyridazin-4-one
PubChem CID167560717
Molecular FormulaC183H149F6N45O18
Molecular Weight3380.49 g/mol
Exact Mass3378.20
IUPAC Name1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]pyridazin-4-one;1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]pyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[6-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-3-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[2-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-5-yl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]-1-propan-2-ylpyridazin-4-one
SMILESCC(C)n1cc(-c2ccc(F)cc2)c(=O)c(C(=O)Cc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)cn2)n1.CC(C)n1cc(-c2ccc(F)cc2)c(=O)c(C(=O)Cc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)nc2)n1.CC(C)n1cc(-c2ccc(F)cc2)c(=O)c(C(=O)Cc2cnc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)nc2)n1.CC(C)n1cc(-c2ccc(F)cc2)c(=O)c(C(=O)Cc2ncc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)cn2)n1.Cn1ncc2cc(Oc3ccc(CC(=O)c4nn(C5CC5)cc(-c5ccc(F)cc5)c4=O)nc3)c(-c3cn[nH]c3)cc21.Cn1ncc2cc(Oc3cnc(CC(=O)c4nn(C5CC5)cc(-c5ccc(F)cc5)c4=O)nc3)c(-c3cn[nH]c3)cc21
InChIInChI=1S/C31H24FN7O3.2C31H26FN7O3.C30H23FN8O3.2C30H25FN8O3/c1-38-27-12-25(20-13-34-35-14-20)29(10-19(27)15-36-38)42-24-9-6-22(33-16-24)11-28(40)30-31(41)26(17-39(37-30)23-7-8-23)18-2-4-21(32)5-3-18;1-18(2)39-17-25(20-5-7-23(32)8-6-20)31(41)30(37-39)27(40)10-19-4-9-29(33-13-19)42-28-11-21-16-36-38(3)26(21)12-24(28)22-14-34-35-15-22;1-18(2)39-17-26(19-4-6-22(32)7-5-19)31(41)30(37-39)28(40)11-23-8-9-24(16-33-23)42-29-10-20-15-36-38(3)27(20)12-25(29)21-13-34-35-14-21;1-38-25-9-23(19-11-34-35-12-19)27(8-18(25)13-36-38)42-22-14-32-28(33-15-22)10-26(40)29-30(41)24(16-39(37-29)21-6-7-21)17-2-4-20(31)5-3-17;1-17(2)39-16-24(19-4-6-22(31)7-5-19)29(41)28(37-39)26(40)8-18-11-32-30(33-12-18)42-27-9-20-15-36-38(3)25(20)10-23(27)21-13-34-35-14-21;1-17(2)39-16-24(18-4-6-21(31)7-5-18)30(41)29(37-39)26(40)10-28-32-14-22(15-33-28)42-27-8-19-13-36-38(3)25(19)9-23(27)20-11-34-35-12-20/h2-6,9-10,12-17,23H,7-8,11H2,1H3,(H,34,35);4-9,11-18H,10H2,1-3H3,(H,34,35);4-10,12-18H,11H2,1-3H3,(H,34,35);2-5,8-9,11-16,21H,6-7,10H2,1H3,(H,34,35);4-7,9-17H,8H2,1-3H3,(H,34,35);4-9,11-17H,10H2,1-3H3,(H,34,35)
InChIKeyDPSDNUPXWFQZJY-UHFFFAOYSA-N
XLogP30.81
TPSA762.15 Ų
H-Bond Donors6
H-Bond Acceptors57
Rotatable Bonds48
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003380.49
LogP ≤ 530.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1057

Analyze 1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]pyridazin-4-one;1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]pyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[6-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-3-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[2-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-5-yl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]-1-propan-2-ylpyridazin-4-one with MolForge

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Related Compounds

3-[2-[5-(3-amino-2-chlorophenoxy)-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-propan-2-ylpyridazin-4-one
CID 167534600
3-[2-[6-(3-amino-2-chlorophenoxy)-3-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-propan-2-ylpyridazin-4-one
CID 167653563
3-[2-[2-(3-amino-2-chlorophenoxy)pyrimidin-5-yl]acetyl]-5-(4-fluorophenyl)-1-propan-2-ylpyridazin-4-one
CID 167653562
1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one
CID 163439084
3-[2-[5-[[2-(benzhydrylideneamino)-3-chloro-4-pyridinyl]oxy]pyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)-1-propan-2-ylpyridazin-4-one;3-[2-[5-[(2,3-dichloro-4-pyridinyl)oxy]pyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)-1-propan-2-ylpyridazin-4-one
CID 167584277
3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridazin-4-one
CID 167533425
3-[2-[5-(3-amino-2-chlorophenoxy)-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-propan-2-ylpyridin-4-one
CID 167534603
N-(4-fluorophenyl)-4,6-dimethyl-N-[4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-oxo-1H-pyridine-3-carboxamide;methanesulfonic acid
CID 89297714
3-[2-[6-(3-amino-2-chlorophenoxy)-3-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-propan-2-ylpyridin-4-one
CID 167534602
1-cyclopropyl-N-[2-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-5-yl]-5-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
CID 146418786
N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-(4-fluorophenyl)-4-propan-2-yl-1,3,2,4-dioxadiazine-6-carboxamide
CID 171854636
1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridin-4-one
CID 163609579

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]pyridazin-4-one;1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]pyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[6-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-3-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[2-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-5-yl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]-1-propan-2-ylpyridazin-4-one?
The IUPAC name of 1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]pyridazin-4-one;1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]pyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[6-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-3-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[2-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-5-yl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]-1-propan-2-ylpyridazin-4-one (CID 167560717) is 1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]pyridazin-4-one;1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]pyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[6-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-3-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[2-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-5-yl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]-1-propan-2-ylpyridazin-4-one.
What is the SMILES notation for 1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]pyridazin-4-one;1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]pyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[6-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-3-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[2-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-5-yl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]-1-propan-2-ylpyridazin-4-one?
The canonical SMILES for 1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]pyridazin-4-one;1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]pyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[6-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-3-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[2-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-5-yl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]-1-propan-2-ylpyridazin-4-one is CC(C)n1cc(-c2ccc(F)cc2)c(=O)c(C(=O)Cc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)cn2)n1.CC(C)n1cc(-c2ccc(F)cc2)c(=O)c(C(=O)Cc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)nc2)n1.CC(C)n1cc(-c2ccc(F)cc2)c(=O)c(C(=O)Cc2cnc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)nc2)n1.CC(C)n1cc(-c2ccc(F)cc2)c(=O)c(C(=O)Cc2ncc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)cn2)n1.Cn1ncc2cc(Oc3ccc(CC(=O)c4nn(C5CC5)cc(-c5ccc(F)cc5)c4=O)nc3)c(-c3cn[nH]c3)cc21.Cn1ncc2cc(Oc3cnc(CC(=O)c4nn(C5CC5)cc(-c5ccc(F)cc5)c4=O)nc3)c(-c3cn[nH]c3)cc21.
What is the InChIKey of 1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]pyridazin-4-one;1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]pyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[6-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-3-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[2-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-5-yl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]-1-propan-2-ylpyridazin-4-one?
The InChIKey is DPSDNUPXWFQZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24FN7O3.2C31H26FN7O3.C30H23FN8O3.2C30H25FN8O3/c1-38-27-12-25(20-13-34-35-14-20)29(10-19(27)15-36-38)42-24-9-6-22(33-16-24)11-28(40)30-31(41)26(17-39(37-30)23-7-8-23)18-2-4-21(32)5-3-18;1-18(2)39-17-25(20-5-7-23(32)8-6-20)31(41)30(37-39)27(40)10-19-4-9-29(33-13-19)42-28-11-21-16-36-38(3)26(21)12-24(28)22-14-34-35-15-22;1-18(2)39-17-26(19-4-6-22(32)7-5-19)31(41)30(37-39)28(40)11-23-8-9-24(16-33-23)42-29-10-20-15-36-38(3)27(20)12-25(29)21-13-34-35-14-21;1-38-25-9-23(19-11-34-35-12-19)27(8-18(25)13-36-38)42-22-14-32-28(33-15-22)10-26(40)29-30(41)24(16-39(37-29)21-6-7-21)17-2-4-20(31)5-3-17;1-17(2)39-16-24(19-4-6-22(31)7-5-19)29(41)28(37-39)26(40)8-18-11-32-30(33-12-18)42-27-9-20-15-36-38(3)25(20)10-23(27)21-13-34-35-14-21;1-17(2)39-16-24(18-4-6-21(31)7-5-18)30(41)29(37-39)26(40)10-28-32-14-22(15-33-28)42-27-8-19-13-36-38(3)25(19)9-23(27)20-11-34-35-12-20/h2-6,9-10,12-17,23H,7-8,11H2,1H3,(H,34,35);4-9,11-18H,10H2,1-3H3,(H,34,35);4-10,12-18H,11H2,1-3H3,(H,34,35);2-5,8-9,11-16,21H,6-7,10H2,1H3,(H,34,35);4-7,9-17H,8H2,1-3H3,(H,34,35);4-9,11-17H,10H2,1-3H3,(H,34,35).
What are the key properties of 1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]pyridazin-4-one;1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]pyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[6-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-3-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[2-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-5-yl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]-1-propan-2-ylpyridazin-4-one?
1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]pyridazin-4-one;1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]pyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[6-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-3-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[2-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-5-yl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]-1-propan-2-ylpyridazin-4-one has a molecular weight of 3380.49 g/mol, XLogP of 30.81, 48 rotatable bonds, 6 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]pyridazin-4-one;1-cyclopropyl-5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]pyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-2-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[6-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-3-pyridinyl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[2-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-5-yl]acetyl]-1-propan-2-ylpyridazin-4-one;5-(4-fluorophenyl)-3-[2-[5-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxypyrimidin-2-yl]acetyl]-1-propan-2-ylpyridazin-4-one is sourced from PubChem (CID 167560717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).