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

C99H81N37O9S2 — CID 159655182

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

6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one (PubChem CID 159655182) has the molecular formula C99H81N37O9S2 and a molecular weight of 1997.12 g/mol. Its IUPAC name is 6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one
• PubChem CID: 159655182
• Molecular Formula: C99H81N37O9S2
• Molecular Weight: 1997.12 g/mol
• Exact Mass: 1995.65
• IUPAC Name: 6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one
• SMILES: Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1.O=c1[nH][nH]c2cc(Nc3cc(Nc4n[nH]c5ccccc45)c4ccccc4n3)ccc12.O=c1[nH][nH]c2cc(Nc3ccc([N+](=O)[O-])c(Nc4cc(C5CC5)[nH]n4)n3)ccc12.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(C5CC5)[nH]n4)ccc3[N+](=O)[O-])ccc12.O=c1[nH][nH]c2cc(Sc3nc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)ccc12
• InChI: InChI=1S/C23H17N7O.C21H17N7OS.C19H15N7OS.2C18H16N8O3/c31-23-16-10-9-13(11-20(16)28-30-23)24-21-12-19(14-5-1-3-7-17(14)25-21)26-22-15-6-2-4-8-18(15)27-29-22;29-20-14-8-7-12(9-17(14)26-28-20)30-21-22-15-4-2-1-3-13(15)19(24-21)23-18-10-16(25-27-18)11-5-6-11;1-10-8-16(25-23-10)21-17-12-4-2-3-5-14(12)20-19(22-17)28-11-6-7-13-15(9-11)24-26-18(13)27;27-18-11-4-3-10(7-13(11)23-25-18)19-17-14(26(28)29)5-6-15(21-17)20-16-8-12(22-24-16)9-1-2-9;27-18-11-4-3-10(7-13(11)23-25-18)19-15-6-5-14(26(28)29)17(20-15)21-16-8-12(22-24-16)9-1-2-9/h1-12H,(H2,28,30,31)(H3,24,25,26,27,29);1-4,7-11H,5-6H2,(H2,26,28,29)(H2,22,23,24,25,27);2-9H,1H3,(H2,24,26,27)(H2,20,21,22,23,25);2*3-9H,1-2H2,(H2,23,25,27)(H3,19,20,21,22,24)
• InChIKey: MSBSNILIVXPYCB-UHFFFAOYSA-N
• XLogP: 19.28
• TPSA: 659.40 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1997.12
LogP ≤ 5	19.28
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one (CID 159655182) is 6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one.

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

The canonical SMILES for 6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one is Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1.O=c1[nH][nH]c2cc(Nc3cc(Nc4n[nH]c5ccccc45)c4ccccc4n3)ccc12.O=c1[nH][nH]c2cc(Nc3ccc([N+](=O)[O-])c(Nc4cc(C5CC5)[nH]n4)n3)ccc12.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(C5CC5)[nH]n4)ccc3[N+](=O)[O-])ccc12.O=c1[nH][nH]c2cc(Sc3nc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)ccc12.

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

The InChIKey is MSBSNILIVXPYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7O.C21H17N7OS.C19H15N7OS.2C18H16N8O3/c31-23-16-10-9-13(11-20(16)28-30-23)24-21-12-19(14-5-1-3-7-17(14)25-21)26-22-15-6-2-4-8-18(15)27-29-22;29-20-14-8-7-12(9-17(14)26-28-20)30-21-22-15-4-2-1-3-13(15)19(24-21)23-18-10-16(25-27-18)11-5-6-11;1-10-8-16(25-23-10)21-17-12-4-2-3-5-14(12)20-19(22-17)28-11-6-7-13-15(9-11)24-26-18(13)27;27-18-11-4-3-10(7-13(11)23-25-18)19-17-14(26(28)29)5-6-15(21-17)20-16-8-12(22-24-16)9-1-2-9;27-18-11-4-3-10(7-13(11)23-25-18)19-15-6-5-14(26(28)29)17(20-15)21-16-8-12(22-24-16)9-1-2-9/h1-12H,(H2,28,30,31)(H3,24,25,26,27,29);1-4,7-11H,5-6H2,(H2,26,28,29)(H2,22,23,24,25,27);2-9H,1H3,(H2,24,26,27)(H2,20,21,22,23,25);2*3-9H,1-2H2,(H2,23,25,27)(H3,19,20,21,22,24).

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

6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one has a molecular weight of 1997.12 g/mol, XLogP of 19.28, 25 rotatable bonds, 23 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[[4-(1H-indazol-3-ylamino)quinolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one is sourced from PubChem (CID 159655182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).