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

C88H104N24O5S — CID 159653459

IUPAC5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclohexyl]-1,2-dihydroindazol-3-one;6-[2-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]ethyl]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCCC(c3ccc4[nH][nH]c(=O)c4c3)C2)s1.Cn1cnc(NC2CCCC(c3ccc4[nH][nH]c(=O)c4c3)C2)c1.O=c1[nH][nH]c2cc(CCC3CCC(Nc4nccnn4)C3)ccc12.O=c1[nH][nH]c2ccc(C3CCCC(Nc4cc(C5CC5)[nH]n4)C3)cc12.O=c1[nH][nH]c2ccc(C3CCCC(Nc4ccccn4)C3)cc12
InChIInChI=1S/C19H23N5O.C18H20N4O.C17H20N6O.C17H21N5O.C17H20N4OS/c25-19-15-9-13(6-7-16(15)21-24-19)12-2-1-3-14(8-12)20-18-10-17(22-23-18)11-4-5-11;23-18-15-11-13(7-8-16(15)21-22-18)12-4-3-5-14(10-12)20-17-6-1-2-9-19-17;24-16-14-6-4-12(10-15(14)21-22-16)2-1-11-3-5-13(9-11)20-17-18-7-8-19-23-17;1-22-9-16(18-10-22)19-13-4-2-3-11(7-13)12-5-6-15-14(8-12)17(23)21-20-15;1-10-9-18-17(23-10)19-13-4-2-3-11(7-13)12-5-6-15-14(8-12)16(22)21-20-15/h6-7,9-12,14H,1-5,8H2,(H2,20,22,23)(H2,21,24,25);1-2,6-9,11-12,14H,3-5,10H2,(H,19,20)(H2,21,22,23);4,6-8,10-11,13H,1-3,5,9H2,(H,18,20,23)(H2,21,22,24);5-6,8-11,13,19H,2-4,7H2,1H3,(H2,20,21,23);5-6,8-9,11,13H,2-4,7H2,1H3,(H,18,19)(H2,20,21,22)
InChIKeyMRWHHFZENWXXCQ-UHFFFAOYSA-N
MW1610.03 g/mol
LogP15.73
Rot. Bonds18

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

5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclohexyl]-1,2-dihydroindazol-3-one;6-[2-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]ethyl]-1,2-dihydroindazol-3-one (PubChem CID 159653459) has the molecular formula C88H104N24O5S and a molecular weight of 1610.03 g/mol. Its IUPAC name is 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclohexyl]-1,2-dihydroindazol-3-one;6-[2-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]ethyl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclohexyl]-1,2-dihydroindazol-3-one;6-[2-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]ethyl]-1,2-dihydroindazol-3-one
PubChem CID159653459
Molecular FormulaC88H104N24O5S
Molecular Weight1610.03 g/mol
Exact Mass1608.83
IUPAC Name5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclohexyl]-1,2-dihydroindazol-3-one;6-[2-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]ethyl]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCCC(c3ccc4[nH][nH]c(=O)c4c3)C2)s1.Cn1cnc(NC2CCCC(c3ccc4[nH][nH]c(=O)c4c3)C2)c1.O=c1[nH][nH]c2cc(CCC3CCC(Nc4nccnn4)C3)ccc12.O=c1[nH][nH]c2ccc(C3CCCC(Nc4cc(C5CC5)[nH]n4)C3)cc12.O=c1[nH][nH]c2ccc(C3CCCC(Nc4ccccn4)C3)cc12
InChIInChI=1S/C19H23N5O.C18H20N4O.C17H20N6O.C17H21N5O.C17H20N4OS/c25-19-15-9-13(6-7-16(15)21-24-19)12-2-1-3-14(8-12)20-18-10-17(22-23-18)11-4-5-11;23-18-15-11-13(7-8-16(15)21-22-18)12-4-3-5-14(10-12)20-17-6-1-2-9-19-17;24-16-14-6-4-12(10-15(14)21-22-16)2-1-11-3-5-13(9-11)20-17-18-7-8-19-23-17;1-22-9-16(18-10-22)19-13-4-2-3-11(7-13)12-5-6-15-14(8-12)17(23)21-20-15;1-10-9-18-17(23-10)19-13-4-2-3-11(7-13)12-5-6-15-14(8-12)16(22)21-20-15/h6-7,9-12,14H,1-5,8H2,(H2,20,22,23)(H2,21,24,25);1-2,6-9,11-12,14H,3-5,10H2,(H,19,20)(H2,21,22,23);4,6-8,10-11,13H,1-3,5,9H2,(H,18,20,23)(H2,21,22,24);5-6,8-11,13,19H,2-4,7H2,1H3,(H2,20,21,23);5-6,8-9,11,13H,2-4,7H2,1H3,(H,18,19)(H2,20,21,22)
InChIKeyMRWHHFZENWXXCQ-UHFFFAOYSA-N
XLogP15.73
TPSA414.35 Ų
H-Bond Donors16
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001610.03
LogP ≤ 515.73
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1019

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclohexyl]-1,2-dihydroindazol-3-one;6-[2-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]ethyl]-1,2-dihydroindazol-3-one?
The IUPAC name of 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclohexyl]-1,2-dihydroindazol-3-one;6-[2-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]ethyl]-1,2-dihydroindazol-3-one (CID 159653459) is 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclohexyl]-1,2-dihydroindazol-3-one;6-[2-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]ethyl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclohexyl]-1,2-dihydroindazol-3-one;6-[2-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]ethyl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclohexyl]-1,2-dihydroindazol-3-one;6-[2-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]ethyl]-1,2-dihydroindazol-3-one is Cc1cnc(NC2CCCC(c3ccc4[nH][nH]c(=O)c4c3)C2)s1.Cn1cnc(NC2CCCC(c3ccc4[nH][nH]c(=O)c4c3)C2)c1.O=c1[nH][nH]c2cc(CCC3CCC(Nc4nccnn4)C3)ccc12.O=c1[nH][nH]c2ccc(C3CCCC(Nc4cc(C5CC5)[nH]n4)C3)cc12.O=c1[nH][nH]c2ccc(C3CCCC(Nc4ccccn4)C3)cc12.
What is the InChIKey of 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclohexyl]-1,2-dihydroindazol-3-one;6-[2-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]ethyl]-1,2-dihydroindazol-3-one?
The InChIKey is MRWHHFZENWXXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O.C18H20N4O.C17H20N6O.C17H21N5O.C17H20N4OS/c25-19-15-9-13(6-7-16(15)21-24-19)12-2-1-3-14(8-12)20-18-10-17(22-23-18)11-4-5-11;23-18-15-11-13(7-8-16(15)21-22-18)12-4-3-5-14(10-12)20-17-6-1-2-9-19-17;24-16-14-6-4-12(10-15(14)21-22-16)2-1-11-3-5-13(9-11)20-17-18-7-8-19-23-17;1-22-9-16(18-10-22)19-13-4-2-3-11(7-13)12-5-6-15-14(8-12)17(23)21-20-15;1-10-9-18-17(23-10)19-13-4-2-3-11(7-13)12-5-6-15-14(8-12)16(22)21-20-15/h6-7,9-12,14H,1-5,8H2,(H2,20,22,23)(H2,21,24,25);1-2,6-9,11-12,14H,3-5,10H2,(H,19,20)(H2,21,22,23);4,6-8,10-11,13H,1-3,5,9H2,(H,18,20,23)(H2,21,22,24);5-6,8-11,13,19H,2-4,7H2,1H3,(H2,20,21,23);5-6,8-9,11,13H,2-4,7H2,1H3,(H,18,19)(H2,20,21,22).
What are the key properties of 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclohexyl]-1,2-dihydroindazol-3-one;6-[2-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]ethyl]-1,2-dihydroindazol-3-one?
5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclohexyl]-1,2-dihydroindazol-3-one;6-[2-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]ethyl]-1,2-dihydroindazol-3-one has a molecular weight of 1610.03 g/mol, XLogP of 15.73, 18 rotatable bonds, 16 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one;5-[3-(pyridin-2-ylamino)cyclohexyl]-1,2-dihydroindazol-3-one;6-[2-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]ethyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 159653459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).