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

C91H76N30O5S5 — CID 159966452

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

6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one (PubChem CID 159966452) has the molecular formula C91H76N30O5S5 and a molecular weight of 1830.15 g/mol. Its IUPAC name is 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one
• PubChem CID: 159966452
• Molecular Formula: C91H76N30O5S5
• Molecular Weight: 1830.15 g/mol
• Exact Mass: 1828.52
• IUPAC Name: 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one
• SMILES: Cc1cc(Nc2cc(Sc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ccnc(Sc3ccc4c(=O)[nH][nH]c4c3)c2)n[nH]1.O=c1[nH][nH]c2cc(Sc3cc(Nc4cc(C5CC5)[nH]n4)ccn3)ccc12.O=c1[nH][nH]c2cc(Sc3cccc(Nc4cc(C5CC5)[nH]n4)n3)ccc12.O=c1[nH][nH]c2cc(Sc3cccc(Nc4n[nH]c5ccccc45)n3)ccc12
• InChI: InChI=1S/C20H16N6OS.C19H14N6OS.2C18H16N6OS.C16H14N6OS/c1-11-8-18(25-23-11)21-16-10-19(22-15-5-3-2-4-13(15)16)28-12-6-7-14-17(9-12)24-26-20(14)27;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;25-18-13-4-3-12(8-15(13)22-24-18)26-17-7-11(5-6-19-17)20-16-9-14(21-23-16)10-1-2-10;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;1-9-6-14(21-19-9)18-10-4-5-17-15(7-10)24-11-2-3-12-13(8-11)20-22-16(12)23/h2-10H,1H3,(H2,24,26,27)(H2,21,22,23,25);1-10H,(H2,23,25,26)(H2,20,21,22,24);3-10H,1-2H2,(H2,22,24,25)(H2,19,20,21,23);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)
• InChIKey: ODZOMGLPADRQFR-UHFFFAOYSA-N
• XLogP: 19.02
• TPSA: 511.25 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1830.15
LogP ≤ 5	19.02
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one (CID 159966452) is 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one.

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

The canonical SMILES for 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one is Cc1cc(Nc2cc(Sc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ccnc(Sc3ccc4c(=O)[nH][nH]c4c3)c2)n[nH]1.O=c1[nH][nH]c2cc(Sc3cc(Nc4cc(C5CC5)[nH]n4)ccn3)ccc12.O=c1[nH][nH]c2cc(Sc3cccc(Nc4cc(C5CC5)[nH]n4)n3)ccc12.O=c1[nH][nH]c2cc(Sc3cccc(Nc4n[nH]c5ccccc45)n3)ccc12.

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

The InChIKey is ODZOMGLPADRQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6OS.C19H14N6OS.2C18H16N6OS.C16H14N6OS/c1-11-8-18(25-23-11)21-16-10-19(22-15-5-3-2-4-13(15)16)28-12-6-7-14-17(9-12)24-26-20(14)27;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;25-18-13-4-3-12(8-15(13)22-24-18)26-17-7-11(5-6-19-17)20-16-9-14(21-23-16)10-1-2-10;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;1-9-6-14(21-19-9)18-10-4-5-17-15(7-10)24-11-2-3-12-13(8-11)20-22-16(12)23/h2-10H,1H3,(H2,24,26,27)(H2,21,22,23,25);1-10H,(H2,23,25,26)(H2,20,21,22,24);3-10H,1-2H2,(H2,22,24,25)(H2,19,20,21,23);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-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one?

6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one has a molecular weight of 1830.15 g/mol, XLogP of 19.02, 22 rotatable bonds, 20 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[6-(1H-indazol-3-ylamino)-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one is sourced from PubChem (CID 159966452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).