6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-(pyridin-2-ylamino)oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one

C83H99N29O9S — CID 160953452

IUPAC6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-(pyridin-2-ylamino)oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2COCC(Nc3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1cnc(NC2COCC(Nc3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(NC3CCCC(Nc4nccnn4)C3)ccc12.O=c1[nH][nH]c2cc(NC3COCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12.O=c1[nH][nH]c2cc(NC3COCC(Nc4ccccn4)C3)ccc12
InChIInChI=1S/C18H22N6O2.C17H19N5O2.C16H19N7O.C16H20N6O2.C16H19N5O2S/c25-18-14-4-3-11(6-16(14)22-24-18)19-12-5-13(9-26-8-12)20-17-7-15(21-23-17)10-1-2-10;23-17-14-5-4-11(8-15(14)21-22-17)19-12-7-13(10-24-9-12)20-16-3-1-2-6-18-16;24-15-13-5-4-12(9-14(13)21-22-15)19-10-2-1-3-11(8-10)20-16-17-6-7-18-23-16;1-22-6-15(17-9-22)19-12-4-11(7-24-8-12)18-10-2-3-13-14(5-10)20-21-16(13)23;1-9-6-17-16(24-9)19-12-4-11(7-23-8-12)18-10-2-3-13-14(5-10)20-21-15(13)22/h3-4,6-7,10,12-13,19H,1-2,5,8-9H2,(H2,20,21,23)(H2,22,24,25);1-6,8,12-13,19H,7,9-10H2,(H,18,20)(H2,21,22,23);4-7,9-11,19H,1-3,8H2,(H,17,20,23)(H2,21,22,24);2-3,5-6,9,11-12,18-19H,4,7-8H2,1H3,(H2,20,21,23);2-3,5-6,11-12,18H,4,7-8H2,1H3,(H,17,19)(H2,20,21,22)
InChIKeySWBLPJKOOORHKI-UHFFFAOYSA-N
MW1678.97 g/mol
LogP9.52
Rot. Bonds21

About 6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-(pyridin-2-ylamino)oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one

6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-(pyridin-2-ylamino)oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one (PubChem CID 160953452) has the molecular formula C83H99N29O9S and a molecular weight of 1678.97 g/mol. Its IUPAC name is 6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-(pyridin-2-ylamino)oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-(pyridin-2-ylamino)oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one
PubChem CID160953452
Molecular FormulaC83H99N29O9S
Molecular Weight1678.97 g/mol
Exact Mass1677.79
IUPAC Name6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-(pyridin-2-ylamino)oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2COCC(Nc3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1cnc(NC2COCC(Nc3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(NC3CCCC(Nc4nccnn4)C3)ccc12.O=c1[nH][nH]c2cc(NC3COCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12.O=c1[nH][nH]c2cc(NC3COCC(Nc4ccccn4)C3)ccc12
InChIInChI=1S/C18H22N6O2.C17H19N5O2.C16H19N7O.C16H20N6O2.C16H19N5O2S/c25-18-14-4-3-11(6-16(14)22-24-18)19-12-5-13(9-26-8-12)20-17-7-15(21-23-17)10-1-2-10;23-17-14-5-4-11(8-15(14)21-22-17)19-12-7-13(10-24-9-12)20-16-3-1-2-6-18-16;24-15-13-5-4-12(9-14(13)21-22-15)19-10-2-1-3-11(8-10)20-16-17-6-7-18-23-16;1-22-6-15(17-9-22)19-12-4-11(7-24-8-12)18-10-2-3-13-14(5-10)20-21-16(13)23;1-9-6-17-16(24-9)19-12-4-11(7-23-8-12)18-10-2-3-13-14(5-10)20-21-15(13)22/h3-4,6-7,10,12-13,19H,1-2,5,8-9H2,(H2,20,21,23)(H2,22,24,25);1-6,8,12-13,19H,7,9-10H2,(H,18,20)(H2,21,22,23);4-7,9-11,19H,1-3,8H2,(H,17,20,23)(H2,21,22,24);2-3,5-6,9,11-12,18-19H,4,7-8H2,1H3,(H2,20,21,23);2-3,5-6,11-12,18H,4,7-8H2,1H3,(H,17,19)(H2,20,21,22)
InChIKeySWBLPJKOOORHKI-UHFFFAOYSA-N
XLogP9.52
TPSA511.42 Ų
H-Bond Donors21
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001678.97
LogP ≤ 59.52
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1028

Analyze 6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-(pyridin-2-ylamino)oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-(pyridin-2-ylamino)oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-(pyridin-2-ylamino)oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one (CID 160953452) is 6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-(pyridin-2-ylamino)oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-(pyridin-2-ylamino)oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-(pyridin-2-ylamino)oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one is Cc1cnc(NC2COCC(Nc3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1cnc(NC2COCC(Nc3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(NC3CCCC(Nc4nccnn4)C3)ccc12.O=c1[nH][nH]c2cc(NC3COCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12.O=c1[nH][nH]c2cc(NC3COCC(Nc4ccccn4)C3)ccc12.
What is the InChIKey of 6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-(pyridin-2-ylamino)oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one?
The InChIKey is SWBLPJKOOORHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2.C17H19N5O2.C16H19N7O.C16H20N6O2.C16H19N5O2S/c25-18-14-4-3-11(6-16(14)22-24-18)19-12-5-13(9-26-8-12)20-17-7-15(21-23-17)10-1-2-10;23-17-14-5-4-11(8-15(14)21-22-17)19-12-7-13(10-24-9-12)20-16-3-1-2-6-18-16;24-15-13-5-4-12(9-14(13)21-22-15)19-10-2-1-3-11(8-10)20-16-17-6-7-18-23-16;1-22-6-15(17-9-22)19-12-4-11(7-24-8-12)18-10-2-3-13-14(5-10)20-21-16(13)23;1-9-6-17-16(24-9)19-12-4-11(7-23-8-12)18-10-2-3-13-14(5-10)20-21-15(13)22/h3-4,6-7,10,12-13,19H,1-2,5,8-9H2,(H2,20,21,23)(H2,22,24,25);1-6,8,12-13,19H,7,9-10H2,(H,18,20)(H2,21,22,23);4-7,9-11,19H,1-3,8H2,(H,17,20,23)(H2,21,22,24);2-3,5-6,9,11-12,18-19H,4,7-8H2,1H3,(H2,20,21,23);2-3,5-6,11-12,18H,4,7-8H2,1H3,(H,17,19)(H2,20,21,22).
What are the key properties of 6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-(pyridin-2-ylamino)oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one?
6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-(pyridin-2-ylamino)oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one has a molecular weight of 1678.97 g/mol, XLogP of 9.52, 21 rotatable bonds, 21 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-(pyridin-2-ylamino)oxan-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]amino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 160953452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).