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

C83H94N24O14S — CID 159384389

IUPAC6-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-(pyridin-2-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclohexyl]oxy-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2COCC(Oc3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1cnc(NC2COCC(Oc3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(OC3CCCC(Nc4nccnn4)C3)ccc12.O=c1[nH][nH]c2cc(OC3COCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12.O=c1[nH][nH]c2cc(OC3COCC(Nc4ccccn4)C3)ccc12
InChIInChI=1S/C18H21N5O3.C17H18N4O3.C16H18N6O2.C16H19N5O3.C16H18N4O3S/c24-18-14-4-3-12(6-16(14)21-23-18)26-13-5-11(8-25-9-13)19-17-7-15(20-22-17)10-1-2-10;22-17-14-5-4-12(8-15(14)20-21-17)24-13-7-11(9-23-10-13)19-16-3-1-2-6-18-16;23-15-13-5-4-12(9-14(13)20-21-15)24-11-3-1-2-10(8-11)19-16-17-6-7-18-22-16;1-21-6-15(17-9-21)18-10-4-12(8-23-7-10)24-11-2-3-13-14(5-11)19-20-16(13)22;1-9-6-17-16(24-9)18-10-4-12(8-22-7-10)23-11-2-3-13-14(5-11)19-20-15(13)21/h3-4,6-7,10-11,13H,1-2,5,8-9H2,(H2,19,20,22)(H2,21,23,24);1-6,8,11,13H,7,9-10H2,(H,18,19)(H2,20,21,22);4-7,9-11H,1-3,8H2,(H,17,19,22)(H2,20,21,23);2-3,5-6,9-10,12,18H,4,7-8H2,1H3,(H2,19,20,22);2-3,5-6,10,12H,4,7-8H2,1H3,(H,17,18)(H2,19,20,21)
InChIKeyLLHUTKCJIOPESU-UHFFFAOYSA-N
MW1683.89 g/mol
LogP9.36
Rot. Bonds21

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

6-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-(pyridin-2-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclohexyl]oxy-1,2-dihydroindazol-3-one (PubChem CID 159384389) has the molecular formula C83H94N24O14S and a molecular weight of 1683.89 g/mol. Its IUPAC name is 6-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-(pyridin-2-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclohexyl]oxy-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-(pyridin-2-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclohexyl]oxy-1,2-dihydroindazol-3-one
PubChem CID159384389
Molecular FormulaC83H94N24O14S
Molecular Weight1683.89 g/mol
Exact Mass1682.71
IUPAC Name6-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-(pyridin-2-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclohexyl]oxy-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2COCC(Oc3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1cnc(NC2COCC(Oc3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(OC3CCCC(Nc4nccnn4)C3)ccc12.O=c1[nH][nH]c2cc(OC3COCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12.O=c1[nH][nH]c2cc(OC3COCC(Nc4ccccn4)C3)ccc12
InChIInChI=1S/C18H21N5O3.C17H18N4O3.C16H18N6O2.C16H19N5O3.C16H18N4O3S/c24-18-14-4-3-12(6-16(14)21-23-18)26-13-5-11(8-25-9-13)19-17-7-15(20-22-17)10-1-2-10;22-17-14-5-4-12(8-15(14)20-21-17)24-13-7-11(9-23-10-13)19-16-3-1-2-6-18-16;23-15-13-5-4-12(9-14(13)20-21-15)24-11-3-1-2-10(8-11)19-16-17-6-7-18-22-16;1-21-6-15(17-9-21)18-10-4-12(8-23-7-10)24-11-2-3-13-14(5-11)19-20-16(13)22;1-9-6-17-16(24-9)18-10-4-12(8-22-7-10)23-11-2-3-13-14(5-11)19-20-15(13)21/h3-4,6-7,10-11,13H,1-2,5,8-9H2,(H2,19,20,22)(H2,21,23,24);1-6,8,11,13H,7,9-10H2,(H,18,19)(H2,20,21,22);4-7,9-11H,1-3,8H2,(H,17,19,22)(H2,20,21,23);2-3,5-6,9-10,12,18H,4,7-8H2,1H3,(H2,19,20,22);2-3,5-6,10,12H,4,7-8H2,1H3,(H,17,18)(H2,19,20,21)
InChIKeyLLHUTKCJIOPESU-UHFFFAOYSA-N
XLogP9.36
TPSA497.42 Ų
H-Bond Donors16
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001683.89
LogP ≤ 59.36
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1028

Analyze 6-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-(pyridin-2-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclohexyl]oxy-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]oxy-1,2-dihydroindazol-3-one;6-[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-(pyridin-2-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclohexyl]oxy-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-(pyridin-2-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclohexyl]oxy-1,2-dihydroindazol-3-one (CID 159384389) is 6-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-(pyridin-2-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclohexyl]oxy-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-(pyridin-2-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclohexyl]oxy-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-(pyridin-2-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclohexyl]oxy-1,2-dihydroindazol-3-one is Cc1cnc(NC2COCC(Oc3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1cnc(NC2COCC(Oc3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(OC3CCCC(Nc4nccnn4)C3)ccc12.O=c1[nH][nH]c2cc(OC3COCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12.O=c1[nH][nH]c2cc(OC3COCC(Nc4ccccn4)C3)ccc12.
What is the InChIKey of 6-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-(pyridin-2-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclohexyl]oxy-1,2-dihydroindazol-3-one?
The InChIKey is LLHUTKCJIOPESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3.C17H18N4O3.C16H18N6O2.C16H19N5O3.C16H18N4O3S/c24-18-14-4-3-12(6-16(14)21-23-18)26-13-5-11(8-25-9-13)19-17-7-15(20-22-17)10-1-2-10;22-17-14-5-4-12(8-15(14)20-21-17)24-13-7-11(9-23-10-13)19-16-3-1-2-6-18-16;23-15-13-5-4-12(9-14(13)20-21-15)24-11-3-1-2-10(8-11)19-16-17-6-7-18-22-16;1-21-6-15(17-9-21)18-10-4-12(8-23-7-10)24-11-2-3-13-14(5-11)19-20-16(13)22;1-9-6-17-16(24-9)18-10-4-12(8-22-7-10)23-11-2-3-13-14(5-11)19-20-15(13)21/h3-4,6-7,10-11,13H,1-2,5,8-9H2,(H2,19,20,22)(H2,21,23,24);1-6,8,11,13H,7,9-10H2,(H,18,19)(H2,20,21,22);4-7,9-11H,1-3,8H2,(H,17,19,22)(H2,20,21,23);2-3,5-6,9-10,12,18H,4,7-8H2,1H3,(H2,19,20,22);2-3,5-6,10,12H,4,7-8H2,1H3,(H,17,18)(H2,19,20,21).
What are the key properties of 6-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-(pyridin-2-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclohexyl]oxy-1,2-dihydroindazol-3-one?
6-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-(pyridin-2-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclohexyl]oxy-1,2-dihydroindazol-3-one has a molecular weight of 1683.89 g/mol, XLogP of 9.36, 21 rotatable bonds, 16 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]oxy-1,2-dihydroindazol-3-one;6-[5-[(1-methylimidazol-4-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[5-(pyridin-2-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclohexyl]oxy-1,2-dihydroindazol-3-one is sourced from PubChem (CID 159384389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).