6-[[6-[(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-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one

C95H84N32O11 — CID 158518477

IUPAC6-[[6-[(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-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2cc(N3CCOCC3)nc(OCc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.Cc1cc(Nc2cccc(Oc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.O=c1[nH][nH]c2cc(Oc3cc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)ccc12.O=c1[nH][nH]c2cc(Oc3cccc(Nc4cc(C5CC5)[nH]n4)n3)ccc12.O=c1[nH][nH]c2cc(Oc3cccc(Nc4n[nH]c5ccccc45)n3)ccc12
InChIInChI=1S/C22H18N6O2.C20H22N8O3.C19H14N6O2.C18H16N6O2.C16H14N6O2/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;1-12-8-17(26-24-12)21-16-10-18(28-4-6-30-7-5-28)23-20(22-16)31-11-13-2-3-14-15(9-13)25-27-19(14)29;26-19-13-9-8-11(10-15(13)23-25-19)27-17-7-3-6-16(20-17)21-18-12-4-1-2-5-14(12)22-24-18;25-18-12-7-6-11(8-14(12)22-24-18)26-17-3-1-2-15(20-17)19-16-9-13(21-23-16)10-4-5-10;1-9-7-14(21-19-9)17-13-3-2-4-15(18-13)24-10-5-6-11-12(8-10)20-22-16(11)23/h1-4,7-12H,5-6H2,(H2,26,28,29)(H2,23,24,25,27);2-3,8-10H,4-7,11H2,1H3,(H2,25,27,29)(H2,21,22,23,24,26);1-10H,(H2,23,25,26)(H2,20,21,22,24);1-3,6-10H,4-5H2,(H2,22,24,25)(H2,19,20,21,23);2-8H,1H3,(H2,20,22,23)(H2,17,18,19,21)
InChIKeyHLXPQVYSAZPFNU-UHFFFAOYSA-N
MW1849.93 g/mol
LogP16.25
Rot. Bonds24

About 6-[[6-[(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-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one

6-[[6-[(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-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one (PubChem CID 158518477) has the molecular formula C95H84N32O11 and a molecular weight of 1849.93 g/mol. Its IUPAC name is 6-[[6-[(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-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[6-[(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-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one
PubChem CID158518477
Molecular FormulaC95H84N32O11
Molecular Weight1849.93 g/mol
Exact Mass1848.70
IUPAC Name6-[[6-[(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-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2cc(N3CCOCC3)nc(OCc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.Cc1cc(Nc2cccc(Oc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.O=c1[nH][nH]c2cc(Oc3cc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)ccc12.O=c1[nH][nH]c2cc(Oc3cccc(Nc4cc(C5CC5)[nH]n4)n3)ccc12.O=c1[nH][nH]c2cc(Oc3cccc(Nc4n[nH]c5ccccc45)n3)ccc12
InChIInChI=1S/C22H18N6O2.C20H22N8O3.C19H14N6O2.C18H16N6O2.C16H14N6O2/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;1-12-8-17(26-24-12)21-16-10-18(28-4-6-30-7-5-28)23-20(22-16)31-11-13-2-3-14-15(9-13)25-27-19(14)29;26-19-13-9-8-11(10-15(13)23-25-19)27-17-7-3-6-16(20-17)21-18-12-4-1-2-5-14(12)22-24-18;25-18-12-7-6-11(8-14(12)22-24-18)26-17-3-1-2-15(20-17)19-16-9-13(21-23-16)10-4-5-10;1-9-7-14(21-19-9)17-13-3-2-4-15(18-13)24-10-5-6-11-12(8-10)20-22-16(11)23/h1-4,7-12H,5-6H2,(H2,26,28,29)(H2,23,24,25,27);2-3,8-10H,4-7,11H2,1H3,(H2,25,27,29)(H2,21,22,23,24,26);1-10H,(H2,23,25,26)(H2,20,21,22,24);1-3,6-10H,4-5H2,(H2,22,24,25)(H2,19,20,21,23);2-8H,1H3,(H2,20,22,23)(H2,17,18,19,21)
InChIKeyHLXPQVYSAZPFNU-UHFFFAOYSA-N
XLogP16.25
TPSA582.76 Ų
H-Bond Donors20
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms138
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001849.93
LogP ≤ 516.25
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1028

Analyze 6-[[6-[(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-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-[(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-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[6-[(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-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one (CID 158518477) is 6-[[6-[(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-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[6-[(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-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[6-[(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-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one is Cc1cc(Nc2cc(N3CCOCC3)nc(OCc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.Cc1cc(Nc2cccc(Oc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.O=c1[nH][nH]c2cc(Oc3cc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)ccc12.O=c1[nH][nH]c2cc(Oc3cccc(Nc4cc(C5CC5)[nH]n4)n3)ccc12.O=c1[nH][nH]c2cc(Oc3cccc(Nc4n[nH]c5ccccc45)n3)ccc12.
What is the InChIKey of 6-[[6-[(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-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one?
The InChIKey is HLXPQVYSAZPFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2.C20H22N8O3.C19H14N6O2.C18H16N6O2.C16H14N6O2/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;1-12-8-17(26-24-12)21-16-10-18(28-4-6-30-7-5-28)23-20(22-16)31-11-13-2-3-14-15(9-13)25-27-19(14)29;26-19-13-9-8-11(10-15(13)23-25-19)27-17-7-3-6-16(20-17)21-18-12-4-1-2-5-14(12)22-24-18;25-18-12-7-6-11(8-14(12)22-24-18)26-17-3-1-2-15(20-17)19-16-9-13(21-23-16)10-4-5-10;1-9-7-14(21-19-9)17-13-3-2-4-15(18-13)24-10-5-6-11-12(8-10)20-22-16(11)23/h1-4,7-12H,5-6H2,(H2,26,28,29)(H2,23,24,25,27);2-3,8-10H,4-7,11H2,1H3,(H2,25,27,29)(H2,21,22,23,24,26);1-10H,(H2,23,25,26)(H2,20,21,22,24);1-3,6-10H,4-5H2,(H2,22,24,25)(H2,19,20,21,23);2-8H,1H3,(H2,20,22,23)(H2,17,18,19,21).
What are the key properties of 6-[[6-[(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-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one?
6-[[6-[(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-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one has a molecular weight of 1849.93 g/mol, XLogP of 16.25, 24 rotatable bonds, 20 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-[(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-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]oxy]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 158518477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).