6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[7-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]methyl]-1,2-dihydroindazol-3-one

C91H93N31O6 — CID 160593622

About 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[7-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]methyl]-1,2-dihydroindazol-3-one

6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[7-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]methyl]-1,2-dihydroindazol-3-one (PubChem CID 160593622) has the molecular formula C91H93N31O6 and a molecular weight of 1716.96 g/mol. Its IUPAC name is 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[7-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]methyl]-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[7-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]methyl]-1,2-dihydroindazol-3-one
• PubChem CID: 160593622
• Molecular Formula: C91H93N31O6
• Molecular Weight: 1716.96 g/mol
• Exact Mass: 1715.79
• IUPAC Name: 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[7-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]methyl]-1,2-dihydroindazol-3-one
• SMILES: Cc1cc(Nc2nc(COc3ccc4c(=O)[nH][nH]c4c3)nc3c2CN(Cc2ccccc2)CC3)n[nH]1.Cc1cc(Nc2nc(COc3ccc4c(=O)[nH][nH]c4c3)nc3c2CNCC3)n[nH]1.Cc1cc(Nc2nc(Cc3ccc4c(=O)[nH][nH]c4c3)nc3c2CCCC3)n[nH]1.Cc1cc(Nc2nc(Cc3ccc4c(=O)[nH][nH]c4c3)nc3c2CCN(Cc2ccccc2)C3)n[nH]1
• InChI: InChI=1S/C26H26N8O2.C26H26N8O.C20H21N7O.C19H20N8O2/c1-16-11-23(32-30-16)28-25-20-14-34(13-17-5-3-2-4-6-17)10-9-21(20)27-24(29-25)15-36-18-7-8-19-22(12-18)31-33-26(19)35;1-16-11-24(32-30-16)29-25-19-9-10-34(14-17-5-3-2-4-6-17)15-22(19)27-23(28-25)13-18-7-8-20-21(12-18)31-33-26(20)35;1-11-8-18(26-24-11)23-19-13-4-2-3-5-15(13)21-17(22-19)10-12-6-7-14-16(9-12)25-27-20(14)28;1-10-6-16(26-24-10)22-18-13-8-20-5-4-14(13)21-17(23-18)9-29-11-2-3-12-15(7-11)25-27-19(12)28/h2-8,11-12H,9-10,13-15H2,1H3,(H2,31,33,35)(H2,27,28,29,30,32);2-8,11-12H,9-10,13-15H2,1H3,(H2,31,33,35)(H2,27,28,29,30,32);6-9H,2-5,10H2,1H3,(H2,25,27,28)(H2,21,22,23,24,26);2-3,6-7,20H,4-5,8-9H2,1H3,(H2,25,27,28)(H2,21,22,23,24,26)
• InChIKey: RDIPNNAONVEUBT-UHFFFAOYSA-N
• XLogP: 11.67
• TPSA: 497.53 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1716.96
LogP ≤ 5	11.67
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[7-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]methyl]-1,2-dihydroindazol-3-one?

The IUPAC name of 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[7-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]methyl]-1,2-dihydroindazol-3-one (CID 160593622) is 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[7-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]methyl]-1,2-dihydroindazol-3-one.

What is the SMILES notation for 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[7-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]methyl]-1,2-dihydroindazol-3-one?

The canonical SMILES for 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[7-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]methyl]-1,2-dihydroindazol-3-one is Cc1cc(Nc2nc(COc3ccc4c(=O)[nH][nH]c4c3)nc3c2CN(Cc2ccccc2)CC3)n[nH]1.Cc1cc(Nc2nc(COc3ccc4c(=O)[nH][nH]c4c3)nc3c2CNCC3)n[nH]1.Cc1cc(Nc2nc(Cc3ccc4c(=O)[nH][nH]c4c3)nc3c2CCCC3)n[nH]1.Cc1cc(Nc2nc(Cc3ccc4c(=O)[nH][nH]c4c3)nc3c2CCN(Cc2ccccc2)C3)n[nH]1.

What is the InChIKey of 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[7-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]methyl]-1,2-dihydroindazol-3-one?

The InChIKey is RDIPNNAONVEUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2.C26H26N8O.C20H21N7O.C19H20N8O2/c1-16-11-23(32-30-16)28-25-20-14-34(13-17-5-3-2-4-6-17)10-9-21(20)27-24(29-25)15-36-18-7-8-19-22(12-18)31-33-26(19)35;1-16-11-24(32-30-16)29-25-19-9-10-34(14-17-5-3-2-4-6-17)15-22(19)27-23(28-25)13-18-7-8-20-21(12-18)31-33-26(20)35;1-11-8-18(26-24-11)23-19-13-4-2-3-5-15(13)21-17(22-19)10-12-6-7-14-16(9-12)25-27-20(14)28;1-10-6-16(26-24-10)22-18-13-8-20-5-4-14(13)21-17(23-18)9-29-11-2-3-12-15(7-11)25-27-19(12)28/h2-8,11-12H,9-10,13-15H2,1H3,(H2,31,33,35)(H2,27,28,29,30,32);2-8,11-12H,9-10,13-15H2,1H3,(H2,31,33,35)(H2,27,28,29,30,32);6-9H,2-5,10H2,1H3,(H2,25,27,28)(H2,21,22,23,24,26);2-3,6-7,20H,4-5,8-9H2,1H3,(H2,25,27,28)(H2,21,22,23,24,26).

What are the key properties of 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[7-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]methyl]-1,2-dihydroindazol-3-one?

6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[7-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]methyl]-1,2-dihydroindazol-3-one has a molecular weight of 1716.96 g/mol, XLogP of 11.67, 22 rotatable bonds, 17 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[6-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[7-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]methyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 160593622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).