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

C82H70N26O6 — CID 161045917

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

6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]amino]methyl]-1,2-dihydroindazol-3-one;6-[[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one (PubChem CID 161045917) has the molecular formula C82H70N26O6 and a molecular weight of 1515.64 g/mol. Its IUPAC name is 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]amino]methyl]-1,2-dihydroindazol-3-one;6-[[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]amino]methyl]-1,2-dihydroindazol-3-one;6-[[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one
• PubChem CID: 161045917
• Molecular Formula: C82H70N26O6
• Molecular Weight: 1515.64 g/mol
• Exact Mass: 1514.60
• IUPAC Name: 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]amino]methyl]-1,2-dihydroindazol-3-one;6-[[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one
• SMILES: Cc1cc(Nc2cccc(NCc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.Cc1cc(Nc2nc(NCc3ccc4c(=O)[nH][nH]c4c3)cc3ccccc23)n[nH]1.O=c1[nH][nH]c2cc(COc3cc(Nc4n[nH]c5ccccc45)c4ccccc4n3)ccc12.O=c1[nH][nH]c2cc(COc3cc(Nc4n[nH]c5ccccc45)ccn3)ccc12
• InChI: InChI=1S/C24H18N6O2.C21H19N7O.C20H16N6O2.C17H17N7O/c31-24-17-10-9-14(11-21(17)28-30-24)13-32-22-12-20(15-5-1-3-7-18(15)25-22)26-23-16-6-2-4-8-19(16)27-29-23;1-12-8-19(27-25-12)24-20-15-5-3-2-4-14(15)10-18(23-20)22-11-13-6-7-16-17(9-13)26-28-21(16)29;27-20-15-6-5-12(9-17(15)24-26-20)11-28-18-10-13(7-8-21-18)22-19-14-3-1-2-4-16(14)23-25-19;1-10-7-16(23-21-10)20-15-4-2-3-14(19-15)18-9-11-5-6-12-13(8-11)22-24-17(12)25/h1-12H,13H2,(H2,28,30,31)(H2,25,26,27,29);2-10H,11H2,1H3,(H2,26,28,29)(H3,22,23,24,25,27);1-10H,11H2,(H2,24,26,27)(H2,21,22,23,25);2-8H,9H2,1H3,(H2,22,24,25)(H3,18,19,20,21,23)
• InChIKey: UBMQMMOZEDCDJD-UHFFFAOYSA-N
• XLogP: 14.48
• TPSA: 451.52 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1515.64
LogP ≤ 5	14.48
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]amino]methyl]-1,2-dihydroindazol-3-one;6-[[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one?

The IUPAC name of 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]amino]methyl]-1,2-dihydroindazol-3-one;6-[[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one (CID 161045917) is 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]amino]methyl]-1,2-dihydroindazol-3-one;6-[[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one.

What is the SMILES notation for 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]amino]methyl]-1,2-dihydroindazol-3-one;6-[[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one?

The canonical SMILES for 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]amino]methyl]-1,2-dihydroindazol-3-one;6-[[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one is Cc1cc(Nc2cccc(NCc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.Cc1cc(Nc2nc(NCc3ccc4c(=O)[nH][nH]c4c3)cc3ccccc23)n[nH]1.O=c1[nH][nH]c2cc(COc3cc(Nc4n[nH]c5ccccc45)c4ccccc4n3)ccc12.O=c1[nH][nH]c2cc(COc3cc(Nc4n[nH]c5ccccc45)ccn3)ccc12.

What is the InChIKey of 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]amino]methyl]-1,2-dihydroindazol-3-one;6-[[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one?

The InChIKey is UBMQMMOZEDCDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O2.C21H19N7O.C20H16N6O2.C17H17N7O/c31-24-17-10-9-14(11-21(17)28-30-24)13-32-22-12-20(15-5-1-3-7-18(15)25-22)26-23-16-6-2-4-8-19(16)27-29-23;1-12-8-19(27-25-12)24-20-15-5-3-2-4-14(15)10-18(23-20)22-11-13-6-7-16-17(9-13)26-28-21(16)29;27-20-15-6-5-12(9-17(15)24-26-20)11-28-18-10-13(7-8-21-18)22-19-14-3-1-2-4-16(14)23-25-19;1-10-7-16(23-21-10)20-15-4-2-3-14(19-15)18-9-11-5-6-12-13(8-11)22-24-17(12)25/h1-12H,13H2,(H2,28,30,31)(H2,25,26,27,29);2-10H,11H2,1H3,(H2,26,28,29)(H3,22,23,24,25,27);1-10H,11H2,(H2,24,26,27)(H2,21,22,23,25);2-8H,9H2,1H3,(H2,22,24,25)(H3,18,19,20,21,23).

What are the key properties of 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]amino]methyl]-1,2-dihydroindazol-3-one;6-[[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one?

6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]amino]methyl]-1,2-dihydroindazol-3-one;6-[[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one has a molecular weight of 1515.64 g/mol, XLogP of 14.48, 20 rotatable bonds, 18 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-(1H-indazol-3-ylamino)-2-pyridinyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]amino]methyl]-1,2-dihydroindazol-3-one;6-[[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 161045917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).