6-[[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one

C73H68N32O5 — CID 161382515

IUPAC6-[[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2cc(-c3ccccc3)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc(C)c2C)n[nH]1
InChIInChI=1S/C21H18N8O.C19H16N8O2.C17H18N8O.C16H16N8O/c1-12-9-18(24-19-11-16(26-28-19)13-5-3-2-4-6-13)25-21(22-12)23-14-7-8-15-17(10-14)27-29-20(15)30;1-10-7-16(22-17-9-14(25-26-17)15-3-2-6-29-15)23-19(20-10)21-11-4-5-12-13(8-11)24-27-18(12)28;1-8-6-14(24-22-8)20-15-9(2)10(3)18-17(21-15)19-11-4-5-12-13(7-11)23-25-16(12)26;1-8-5-13(19-14-6-9(2)21-23-14)20-16(17-8)18-10-3-4-11-12(7-10)22-24-15(11)25/h2-11H,1H3,(H2,27,29,30)(H3,22,23,24,25,26,28);2-9H,1H3,(H2,24,27,28)(H3,20,21,22,23,25,26);4-7H,1-3H3,(H2,23,25,26)(H3,18,19,20,21,22,24);3-7H,1-2H3,(H2,22,24,25)(H3,17,18,19,20,21,23)
InChIKeyVRXDHNUIXXXZAC-UHFFFAOYSA-N
MW1473.57 g/mol
LogP12.51
Rot. Bonds18

About 6-[[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one

6-[[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one (PubChem CID 161382515) has the molecular formula C73H68N32O5 and a molecular weight of 1473.57 g/mol. Its IUPAC name is 6-[[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one
PubChem CID161382515
Molecular FormulaC73H68N32O5
Molecular Weight1473.57 g/mol
Exact Mass1472.61
IUPAC Name6-[[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2cc(-c3ccccc3)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc(C)c2C)n[nH]1
InChIInChI=1S/C21H18N8O.C19H16N8O2.C17H18N8O.C16H16N8O/c1-12-9-18(24-19-11-16(26-28-19)13-5-3-2-4-6-13)25-21(22-12)23-14-7-8-15-17(10-14)27-29-20(15)30;1-10-7-16(22-17-9-14(25-26-17)15-3-2-6-29-15)23-19(20-10)21-11-4-5-12-13(8-11)24-27-18(12)28;1-8-6-14(24-22-8)20-15-9(2)10(3)18-17(21-15)19-11-4-5-12-13(7-11)23-25-16(12)26;1-8-5-13(19-14-6-9(2)21-23-14)20-16(17-8)18-10-3-4-11-12(7-10)22-24-15(11)25/h2-11H,1H3,(H2,27,29,30)(H3,22,23,24,25,26,28);2-9H,1H3,(H2,24,27,28)(H3,20,21,22,23,25,26);4-7H,1-3H3,(H2,23,25,26)(H3,18,19,20,21,22,24);3-7H,1-2H3,(H2,22,24,25)(H3,17,18,19,20,21,23)
InChIKeyVRXDHNUIXXXZAC-UHFFFAOYSA-N
XLogP12.51
TPSA521.82 Ų
H-Bond Donors20
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001473.57
LogP ≤ 512.51
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1025

Analyze 6-[[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one
CID 58935949
6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
CID 10069570
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 160699181
6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 10131417
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(3-phenylphenyl)quinazoline-2,4-diamine
CID 10178621
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine
CID 10177469
6-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]amino]-1,2-dihydroindazol-3-one
CID 59299244
6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[2-(iodomethyl)phenyl]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
CID 89337900
6-[4-(4-methoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one
CID 58935890
6-[[1-(1H-indazol-3-ylamino)isoquinolin-3-yl]amino]-1,2-dihydroindazol-3-one
CID 58936322
4-N-(3,4-dimethoxyphenyl)-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 23536414
2-N,6-N-bis(5-phenyl-1H-pyrazol-3-yl)pyridine-2,6-diamine
CID 139220875

Frequently Asked Questions

What is the IUPAC name of 6-[[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one (CID 161382515) is 6-[[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one is Cc1cc(Nc2cc(-c3ccccc3)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1.Cc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc(C)c2C)n[nH]1.
What is the InChIKey of 6-[[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?
The InChIKey is VRXDHNUIXXXZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8O.C19H16N8O2.C17H18N8O.C16H16N8O/c1-12-9-18(24-19-11-16(26-28-19)13-5-3-2-4-6-13)25-21(22-12)23-14-7-8-15-17(10-14)27-29-20(15)30;1-10-7-16(22-17-9-14(25-26-17)15-3-2-6-29-15)23-19(20-10)21-11-4-5-12-13(8-11)24-27-18(12)28;1-8-6-14(24-22-8)20-15-9(2)10(3)18-17(21-15)19-11-4-5-12-13(7-11)23-25-16(12)26;1-8-5-13(19-14-6-9(2)21-23-14)20-16(17-8)18-10-3-4-11-12(7-10)22-24-15(11)25/h2-11H,1H3,(H2,27,29,30)(H3,22,23,24,25,26,28);2-9H,1H3,(H2,24,27,28)(H3,20,21,22,23,25,26);4-7H,1-3H3,(H2,23,25,26)(H3,18,19,20,21,22,24);3-7H,1-2H3,(H2,22,24,25)(H3,17,18,19,20,21,23).
What are the key properties of 6-[[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?
6-[[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one has a molecular weight of 1473.57 g/mol, XLogP of 12.51, 18 rotatable bonds, 20 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4,5-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 161382515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).