6-[2-[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]propan-2-yl]-1,2-dihydroindazol-3-one;5-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]methoxy]-1,2-dihydroindazol-3-one

C80H86N26O7 — CID 161184853

About 6-[2-[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]propan-2-yl]-1,2-dihydroindazol-3-one;5-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]methoxy]-1,2-dihydroindazol-3-one

6-[2-[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]propan-2-yl]-1,2-dihydroindazol-3-one;5-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]methoxy]-1,2-dihydroindazol-3-one (PubChem CID 161184853) has the molecular formula C80H86N26O7 and a molecular weight of 1523.74 g/mol. Its IUPAC name is 6-[2-[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]propan-2-yl]-1,2-dihydroindazol-3-one;5-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]methoxy]-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 6-[2-[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]propan-2-yl]-1,2-dihydroindazol-3-one;5-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]methoxy]-1,2-dihydroindazol-3-one
• PubChem CID: 161184853
• Molecular Formula: C80H86N26O7
• Molecular Weight: 1523.74 g/mol
• Exact Mass: 1522.72
• IUPAC Name: 6-[2-[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]propan-2-yl]-1,2-dihydroindazol-3-one;5-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]methoxy]-1,2-dihydroindazol-3-one
• SMILES: CCc1cc(Nc2cc(C)[nH]n2)nc(C(C)(C)c2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(COc2ccc3[nH][nH]c(=O)c3c2)n1.Cc1cc(Nc2cc(COc3ccc4c(=O)[nH][nH]c4c3)nc3c2CCCC3)n[nH]1.Cc1cc(Nc2cc(COc3ccc4c(=O)[nH][nH]c4c3)nc3c2CCCCC3)n[nH]1
• InChI: InChI=1S/C22H24N6O2.C21H22N6O2.C20H23N7O.C17H17N7O2/c1-13-9-21(27-25-13)24-19-10-14(23-18-6-4-2-3-5-16(18)19)12-30-15-7-8-17-20(11-15)26-28-22(17)29;1-12-8-20(26-24-12)23-18-9-13(22-17-5-3-2-4-15(17)18)11-29-14-6-7-16-19(10-14)25-27-21(16)28;1-5-13-10-16(22-17-8-11(2)24-26-17)23-19(21-13)20(3,4)12-6-7-14-15(9-12)25-27-18(14)28;1-9-5-14(19-15-6-10(2)21-23-15)20-16(18-9)8-26-11-3-4-13-12(7-11)17(25)24-22-13/h7-11H,2-6,12H2,1H3,(H2,26,28,29)(H2,23,24,25,27);6-10H,2-5,11H2,1H3,(H2,25,27,28)(H2,22,23,24,26);6-10H,5H2,1-4H3,(H2,25,27,28)(H2,21,22,23,24,26);3-7H,8H2,1-2H3,(H2,22,24,25)(H2,18,19,20,21,23)
• InChIKey: USYLGEMBHUYBPH-UHFFFAOYSA-N
• XLogP: 12.98
• TPSA: 462.47 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1523.74
LogP ≤ 5	12.98
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]propan-2-yl]-1,2-dihydroindazol-3-one;5-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]methoxy]-1,2-dihydroindazol-3-one?

The IUPAC name of 6-[2-[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]propan-2-yl]-1,2-dihydroindazol-3-one;5-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]methoxy]-1,2-dihydroindazol-3-one (CID 161184853) is 6-[2-[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]propan-2-yl]-1,2-dihydroindazol-3-one;5-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]methoxy]-1,2-dihydroindazol-3-one.

What is the SMILES notation for 6-[2-[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]propan-2-yl]-1,2-dihydroindazol-3-one;5-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]methoxy]-1,2-dihydroindazol-3-one?

The canonical SMILES for 6-[2-[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]propan-2-yl]-1,2-dihydroindazol-3-one;5-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]methoxy]-1,2-dihydroindazol-3-one is CCc1cc(Nc2cc(C)[nH]n2)nc(C(C)(C)c2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(COc2ccc3[nH][nH]c(=O)c3c2)n1.Cc1cc(Nc2cc(COc3ccc4c(=O)[nH][nH]c4c3)nc3c2CCCC3)n[nH]1.Cc1cc(Nc2cc(COc3ccc4c(=O)[nH][nH]c4c3)nc3c2CCCCC3)n[nH]1.

What is the InChIKey of 6-[2-[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]propan-2-yl]-1,2-dihydroindazol-3-one;5-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]methoxy]-1,2-dihydroindazol-3-one?

The InChIKey is USYLGEMBHUYBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2.C21H22N6O2.C20H23N7O.C17H17N7O2/c1-13-9-21(27-25-13)24-19-10-14(23-18-6-4-2-3-5-16(18)19)12-30-15-7-8-17-20(11-15)26-28-22(17)29;1-12-8-20(26-24-12)23-18-9-13(22-17-5-3-2-4-15(17)18)11-29-14-6-7-16-19(10-14)25-27-21(16)28;1-5-13-10-16(22-17-8-11(2)24-26-17)23-19(21-13)20(3,4)12-6-7-14-15(9-12)25-27-18(14)28;1-9-5-14(19-15-6-10(2)21-23-15)20-16(18-9)8-26-11-3-4-13-12(7-11)17(25)24-22-13/h7-11H,2-6,12H2,1H3,(H2,26,28,29)(H2,23,24,25,27);6-10H,2-5,11H2,1H3,(H2,25,27,28)(H2,22,23,24,26);6-10H,5H2,1-4H3,(H2,25,27,28)(H2,21,22,23,24,26);3-7H,8H2,1-2H3,(H2,22,24,25)(H2,18,19,20,21,23).

What are the key properties of 6-[2-[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]propan-2-yl]-1,2-dihydroindazol-3-one;5-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]methoxy]-1,2-dihydroindazol-3-one?

6-[2-[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]propan-2-yl]-1,2-dihydroindazol-3-one;5-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]methoxy]-1,2-dihydroindazol-3-one has a molecular weight of 1523.74 g/mol, XLogP of 12.98, 20 rotatable bonds, 16 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]propan-2-yl]-1,2-dihydroindazol-3-one;5-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]methoxy]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 161184853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).