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

C103H82N30O5S5 — CID 160525722

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

6-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[1-(1H-indazol-3-ylamino)isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one (PubChem CID 160525722) has the molecular formula C103H82N30O5S5 and a molecular weight of 1980.33 g/mol. Its IUPAC name is 6-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[1-(1H-indazol-3-ylamino)isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 6-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[1-(1H-indazol-3-ylamino)isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one
• PubChem CID: 160525722
• Molecular Formula: C103H82N30O5S5
• Molecular Weight: 1980.33 g/mol
• Exact Mass: 1978.57
• IUPAC Name: 6-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[1-(1H-indazol-3-ylamino)isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one
• SMILES: Cc1cc(Nc2cccc(Sc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)cc3ccccc23)n[nH]1.O=c1[nH][nH]c2cc(Sc3cc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)ccc12.O=c1[nH][nH]c2cc(Sc3cc4ccccc4c(Nc4cc(C5CC5)[nH]n4)n3)ccc12.O=c1[nH][nH]c2cc(Sc3cc4ccccc4c(Nc4n[nH]c5ccccc45)n3)ccc12
• InChI: InChI=1S/C23H16N6OS.2C22H18N6OS.C20H16N6OS.C16H14N6OS/c30-23-17-10-9-14(12-19(17)27-29-23)31-20-11-13-5-1-2-6-15(13)21(24-20)25-22-16-7-3-4-8-18(16)26-28-22;29-22-15-8-7-13(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;29-22-16-8-7-14(10-18(16)26-28-22)30-20-9-13-3-1-2-4-15(13)21(24-20)23-19-11-17(25-27-19)12-5-6-12;1-11-8-17(25-23-11)21-19-14-5-3-2-4-12(14)9-18(22-19)28-13-6-7-15-16(10-13)24-26-20(15)27;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/h1-12H,(H2,27,29,30)(H2,24,25,26,28);2*1-4,7-12H,5-6H2,(H2,26,28,29)(H2,23,24,25,27);2-10H,1H3,(H2,24,26,27)(H2,21,22,23,25);2-8H,1H3,(H2,20,22,23)(H2,17,18,19,21)
• InChIKey: QUVZPHWZRHCTQM-UHFFFAOYSA-N
• XLogP: 22.48
• TPSA: 511.25 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1980.33
LogP ≤ 5	22.48
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 6-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[1-(1H-indazol-3-ylamino)isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one (CID 160525722) is 6-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[1-(1H-indazol-3-ylamino)isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one.

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

The canonical SMILES for 6-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[1-(1H-indazol-3-ylamino)isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one is Cc1cc(Nc2cccc(Sc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)cc3ccccc23)n[nH]1.O=c1[nH][nH]c2cc(Sc3cc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)ccc12.O=c1[nH][nH]c2cc(Sc3cc4ccccc4c(Nc4cc(C5CC5)[nH]n4)n3)ccc12.O=c1[nH][nH]c2cc(Sc3cc4ccccc4c(Nc4n[nH]c5ccccc45)n3)ccc12.

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

The InChIKey is QUVZPHWZRHCTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6OS.2C22H18N6OS.C20H16N6OS.C16H14N6OS/c30-23-17-10-9-14(12-19(17)27-29-23)31-20-11-13-5-1-2-6-15(13)21(24-20)25-22-16-7-3-4-8-18(16)26-28-22;29-22-15-8-7-13(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;29-22-16-8-7-14(10-18(16)26-28-22)30-20-9-13-3-1-2-4-15(13)21(24-20)23-19-11-17(25-27-19)12-5-6-12;1-11-8-17(25-23-11)21-19-14-5-3-2-4-12(14)9-18(22-19)28-13-6-7-15-16(10-13)24-26-20(15)27;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/h1-12H,(H2,27,29,30)(H2,24,25,26,28);2*1-4,7-12H,5-6H2,(H2,26,28,29)(H2,23,24,25,27);2-10H,1H3,(H2,24,26,27)(H2,21,22,23,25);2-8H,1H3,(H2,20,22,23)(H2,17,18,19,21).

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

6-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[1-(1H-indazol-3-ylamino)isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one has a molecular weight of 1980.33 g/mol, XLogP of 22.48, 22 rotatable bonds, 20 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[1-(1H-indazol-3-ylamino)isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 160525722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).