6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,6-dimethylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one

C99H94N36O6S5 — CID 158024012

About 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,6-dimethylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one

6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,6-dimethylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one (PubChem CID 158024012) has the molecular formula C99H94N36O6S5 and a molecular weight of 2044.42 g/mol. Its IUPAC name is 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,6-dimethylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,6-dimethylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one
• PubChem CID: 158024012
• Molecular Formula: C99H94N36O6S5
• Molecular Weight: 2044.42 g/mol
• Exact Mass: 2042.68
• IUPAC Name: 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,6-dimethylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one
• SMILES: Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Sc2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cnc(Sc2ccc3c(=O)[nH][nH]c3c2)nc1Nc1cc(C2CC2)[nH]n1.Cc1nc(Sc2ccc3c(=O)[nH][nH]c3c2)nc(Nc2cc(C3CC3)[nH]n2)c1C.O=c1[nH][nH]c2cc(Sc3nc(Nc4cc(C5CC5)[nH]n4)cc(-c4ccccc4)n3)ccc12.O=c1[nH][nH]c2cc(Sc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCOCC4)n3)ccc12
• InChI: InChI=1S/C23H19N7OS.C21H22N8O2S.C19H19N7OS.2C18H17N7OS/c31-22-16-9-8-15(10-19(16)28-30-22)32-23-24-17(13-4-2-1-3-5-13)11-20(26-23)25-21-12-18(27-29-21)14-6-7-14;30-20-14-4-3-13(9-16(14)26-28-20)32-21-23-17(11-19(24-21)29-5-7-31-8-6-29)22-18-10-15(25-27-18)12-1-2-12;1-9-10(2)20-19(28-12-5-6-13-15(7-12)24-26-18(13)27)22-17(9)21-16-8-14(23-25-16)11-3-4-11;1-9-8-19-18(27-11-4-5-12-14(6-11)23-25-17(12)26)21-16(9)20-15-7-13(22-24-15)10-2-3-10;1-9-6-15(20-16-8-13(22-24-16)10-2-3-10)21-18(19-9)27-11-4-5-12-14(7-11)23-25-17(12)26/h1-5,8-12,14H,6-7H2,(H2,28,30,31)(H2,24,25,26,27,29);3-4,9-12H,1-2,5-8H2,(H2,26,28,30)(H2,22,23,24,25,27);5-8,11H,3-4H2,1-2H3,(H2,24,26,27)(H2,20,21,22,23,25);2*4-8,10H,2-3H2,1H3,(H2,23,25,26)(H2,19,20,21,22,24)
• InChIKey: FGJZDEZZFZHPNM-UHFFFAOYSA-N
• XLogP: 18.44
• TPSA: 588.17 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 32
• Rotatable Bonds: 27
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2044.42
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,6-dimethylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one?

The IUPAC name of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,6-dimethylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one (CID 158024012) is 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,6-dimethylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one.

What is the SMILES notation for 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,6-dimethylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one?

The canonical SMILES for 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,6-dimethylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one is Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Sc2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cnc(Sc2ccc3c(=O)[nH][nH]c3c2)nc1Nc1cc(C2CC2)[nH]n1.Cc1nc(Sc2ccc3c(=O)[nH][nH]c3c2)nc(Nc2cc(C3CC3)[nH]n2)c1C.O=c1[nH][nH]c2cc(Sc3nc(Nc4cc(C5CC5)[nH]n4)cc(-c4ccccc4)n3)ccc12.O=c1[nH][nH]c2cc(Sc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCOCC4)n3)ccc12.

What is the InChIKey of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,6-dimethylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one?

The InChIKey is FGJZDEZZFZHPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7OS.C21H22N8O2S.C19H19N7OS.2C18H17N7OS/c31-22-16-9-8-15(10-19(16)28-30-22)32-23-24-17(13-4-2-1-3-5-13)11-20(26-23)25-21-12-18(27-29-21)14-6-7-14;30-20-14-4-3-13(9-16(14)26-28-20)32-21-23-17(11-19(24-21)29-5-7-31-8-6-29)22-18-10-15(25-27-18)12-1-2-12;1-9-10(2)20-19(28-12-5-6-13-15(7-12)24-26-18(13)27)22-17(9)21-16-8-14(23-25-16)11-3-4-11;1-9-8-19-18(27-11-4-5-12-14(6-11)23-25-17(12)26)21-16(9)20-15-7-13(22-24-15)10-2-3-10;1-9-6-15(20-16-8-13(22-24-16)10-2-3-10)21-18(19-9)27-11-4-5-12-14(7-11)23-25-17(12)26/h1-5,8-12,14H,6-7H2,(H2,28,30,31)(H2,24,25,26,27,29);3-4,9-12H,1-2,5-8H2,(H2,26,28,30)(H2,22,23,24,25,27);5-8,11H,3-4H2,1-2H3,(H2,24,26,27)(H2,20,21,22,23,25);2*4-8,10H,2-3H2,1H3,(H2,23,25,26)(H2,19,20,21,22,24).

What are the key properties of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,6-dimethylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one?

6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,6-dimethylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one has a molecular weight of 2044.42 g/mol, XLogP of 18.44, 27 rotatable bonds, 20 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,6-dimethylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one is sourced from PubChem (CID 158024012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).