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

C82H92N24O11S — CID 158694113

IUPAC6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCC(Oc3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1cnc(NC2CCC(Oc3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(OC3CCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12.O=c1[nH][nH]c2cc(OC3CCC(Nc4ccccn4)C3)ccc12.O=c1[nH][nH]c2cc(OC3COCC(Nc4nccnn4)C3)ccc12
InChIInChI=1S/C18H21N5O2.C17H18N4O2.C16H19N5O2.C16H18N4O2S.C15H16N6O3/c24-18-14-6-5-13(8-16(14)21-23-18)25-12-4-3-11(7-12)19-17-9-15(20-22-17)10-1-2-10;22-17-14-7-6-13(10-15(14)20-21-17)23-12-5-4-11(9-12)19-16-3-1-2-8-18-16;1-21-8-15(17-9-21)18-10-2-3-11(6-10)23-12-4-5-13-14(7-12)19-20-16(13)22;1-9-8-17-16(23-9)18-10-2-3-11(6-10)22-12-4-5-13-14(7-12)19-20-15(13)21;22-14-12-2-1-10(6-13(12)19-20-14)24-11-5-9(7-23-8-11)18-15-16-3-4-17-21-15/h5-6,8-12H,1-4,7H2,(H2,19,20,22)(H2,21,23,24);1-3,6-8,10-12H,4-5,9H2,(H,18,19)(H2,20,21,22);4-5,7-11,18H,2-3,6H2,1H3,(H2,19,20,22);4-5,7-8,10-11H,2-3,6H2,1H3,(H,17,18)(H2,19,20,21);1-4,6,9,11H,5,7-8H2,(H,16,18,21)(H2,19,20,22)
InChIKeyIGSIITBSMUYHMZ-UHFFFAOYSA-N
MW1621.86 g/mol
LogP11.26
Rot. Bonds21

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

6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one (PubChem CID 158694113) has the molecular formula C82H92N24O11S and a molecular weight of 1621.86 g/mol. Its IUPAC name is 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one
PubChem CID158694113
Molecular FormulaC82H92N24O11S
Molecular Weight1621.86 g/mol
Exact Mass1620.71
IUPAC Name6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCC(Oc3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1cnc(NC2CCC(Oc3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(OC3CCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12.O=c1[nH][nH]c2cc(OC3CCC(Nc4ccccn4)C3)ccc12.O=c1[nH][nH]c2cc(OC3COCC(Nc4nccnn4)C3)ccc12
InChIInChI=1S/C18H21N5O2.C17H18N4O2.C16H19N5O2.C16H18N4O2S.C15H16N6O3/c24-18-14-6-5-13(8-16(14)21-23-18)25-12-4-3-11(7-12)19-17-9-15(20-22-17)10-1-2-10;22-17-14-7-6-13(10-15(14)20-21-17)23-12-5-4-11(9-12)19-16-3-1-2-8-18-16;1-21-8-15(17-9-21)18-10-2-3-11(6-10)23-12-4-5-13-14(7-12)19-20-16(13)22;1-9-8-17-16(23-9)18-10-2-3-11(6-10)22-12-4-5-13-14(7-12)19-20-15(13)21;22-14-12-2-1-10(6-13(12)19-20-14)24-11-5-9(7-23-8-11)18-15-16-3-4-17-21-15/h5-6,8-12H,1-4,7H2,(H2,19,20,22)(H2,21,23,24);1-3,6-8,10-12H,4-5,9H2,(H,18,19)(H2,20,21,22);4-5,7-11,18H,2-3,6H2,1H3,(H2,19,20,22);4-5,7-8,10-11H,2-3,6H2,1H3,(H,17,18)(H2,19,20,21);1-4,6,9,11H,5,7-8H2,(H,16,18,21)(H2,19,20,22)
InChIKeyIGSIITBSMUYHMZ-UHFFFAOYSA-N
XLogP11.26
TPSA469.73 Ų
H-Bond Donors16
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001621.86
LogP ≤ 511.26
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1025

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one (CID 158694113) is 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one is Cc1cnc(NC2CCC(Oc3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1cnc(NC2CCC(Oc3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(OC3CCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12.O=c1[nH][nH]c2cc(OC3CCC(Nc4ccccn4)C3)ccc12.O=c1[nH][nH]c2cc(OC3COCC(Nc4nccnn4)C3)ccc12.
What is the InChIKey of 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one?
The InChIKey is IGSIITBSMUYHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2.C17H18N4O2.C16H19N5O2.C16H18N4O2S.C15H16N6O3/c24-18-14-6-5-13(8-16(14)21-23-18)25-12-4-3-11(7-12)19-17-9-15(20-22-17)10-1-2-10;22-17-14-7-6-13(10-15(14)20-21-17)23-12-5-4-11(9-12)19-16-3-1-2-8-18-16;1-21-8-15(17-9-21)18-10-2-3-11(6-10)23-12-4-5-13-14(7-12)19-20-16(13)22;1-9-8-17-16(23-9)18-10-2-3-11(6-10)22-12-4-5-13-14(7-12)19-20-15(13)21;22-14-12-2-1-10(6-13(12)19-20-14)24-11-5-9(7-23-8-11)18-15-16-3-4-17-21-15/h5-6,8-12H,1-4,7H2,(H2,19,20,22)(H2,21,23,24);1-3,6-8,10-12H,4-5,9H2,(H,18,19)(H2,20,21,22);4-5,7-11,18H,2-3,6H2,1H3,(H2,19,20,22);4-5,7-8,10-11H,2-3,6H2,1H3,(H,17,18)(H2,19,20,21);1-4,6,9,11H,5,7-8H2,(H,16,18,21)(H2,19,20,22).
What are the key properties of 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one?
6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one has a molecular weight of 1621.86 g/mol, XLogP of 11.26, 21 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[3-(pyridin-2-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one;6-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]oxy-1,2-dihydroindazol-3-one is sourced from PubChem (CID 158694113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).