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

C94H114N24O6S2 — CID 159873590

IUPAC6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCCC(SCc3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1cnc(NC2CCCC(C(C)(C)c3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(C3(C4CCCC(Nc5ccccn5)C4)CC3)ccc12.O=c1[nH][nH]c2cc(CC3CCCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12.O=c1[nH][nH]c2cc(OC3CCC(Nc4nccnn4)C3)ccc12
InChIInChI=1S/C21H24N4O.C20H25N5O.C20H27N5O.C18H22N4OS2.C15H16N6O2/c26-20-17-8-7-15(13-18(17)24-25-20)21(9-10-21)14-4-3-5-16(12-14)23-19-6-1-2-11-22-19;26-20-16-7-4-13(10-18(16)23-25-20)8-12-2-1-3-15(9-12)21-19-11-17(22-24-19)14-5-6-14;1-20(2,14-7-8-16-17(10-14)23-24-19(16)26)13-5-4-6-15(9-13)22-18-11-25(3)12-21-18;1-11-9-19-18(25-11)20-13-3-2-4-14(8-13)24-10-12-5-6-15-16(7-12)21-22-17(15)23;22-14-12-4-3-11(8-13(12)19-20-14)23-10-2-1-9(7-10)18-15-16-5-6-17-21-15/h1-2,6-8,11,13-14,16H,3-5,9-10,12H2,(H,22,23)(H2,24,25,26);4,7,10-12,14-15H,1-3,5-6,8-9H2,(H2,21,22,24)(H2,23,25,26);7-8,10-13,15,22H,4-6,9H2,1-3H3,(H2,23,24,26);5-7,9,13-14H,2-4,8,10H2,1H3,(H,19,20)(H2,21,22,23);3-6,8-10H,1-2,7H2,(H,16,18,21)(H2,19,20,22)
InChIKeyNSPTXTKSAQPCEQ-UHFFFAOYSA-N
MW1740.24 g/mol
LogP16.89
Rot. Bonds22

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

6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one (PubChem CID 159873590) has the molecular formula C94H114N24O6S2 and a molecular weight of 1740.24 g/mol. Its IUPAC name is 6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one
PubChem CID159873590
Molecular FormulaC94H114N24O6S2
Molecular Weight1740.24 g/mol
Exact Mass1738.88
IUPAC Name6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCCC(SCc3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1cnc(NC2CCCC(C(C)(C)c3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(C3(C4CCCC(Nc5ccccn5)C4)CC3)ccc12.O=c1[nH][nH]c2cc(CC3CCCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12.O=c1[nH][nH]c2cc(OC3CCC(Nc4nccnn4)C3)ccc12
InChIInChI=1S/C21H24N4O.C20H25N5O.C20H27N5O.C18H22N4OS2.C15H16N6O2/c26-20-17-8-7-15(13-18(17)24-25-20)21(9-10-21)14-4-3-5-16(12-14)23-19-6-1-2-11-22-19;26-20-16-7-4-13(10-18(16)23-25-20)8-12-2-1-3-15(9-12)21-19-11-17(22-24-19)14-5-6-14;1-20(2,14-7-8-16-17(10-14)23-24-19(16)26)13-5-4-6-15(9-13)22-18-11-25(3)12-21-18;1-11-9-19-18(25-11)20-13-3-2-4-14(8-13)24-10-12-5-6-15-16(7-12)21-22-17(15)23;22-14-12-4-3-11(8-13(12)19-20-14)23-10-2-1-9(7-10)18-15-16-5-6-17-21-15/h1-2,6-8,11,13-14,16H,3-5,9-10,12H2,(H,22,23)(H2,24,25,26);4,7,10-12,14-15H,1-3,5-6,8-9H2,(H2,21,22,24)(H2,23,25,26);7-8,10-13,15,22H,4-6,9H2,1-3H3,(H2,23,24,26);5-7,9,13-14H,2-4,8,10H2,1H3,(H,19,20)(H2,21,22,23);3-6,8-10H,1-2,7H2,(H,16,18,21)(H2,19,20,22)
InChIKeyNSPTXTKSAQPCEQ-UHFFFAOYSA-N
XLogP16.89
TPSA423.58 Ų
H-Bond Donors16
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001740.24
LogP ≤ 516.89
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1021

Analyze 6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]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]cyclohexyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one (CID 159873590) is 6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one is Cc1cnc(NC2CCCC(SCc3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1cnc(NC2CCCC(C(C)(C)c3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(C3(C4CCCC(Nc5ccccn5)C4)CC3)ccc12.O=c1[nH][nH]c2cc(CC3CCCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12.O=c1[nH][nH]c2cc(OC3CCC(Nc4nccnn4)C3)ccc12.
What is the InChIKey of 6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one?
The InChIKey is NSPTXTKSAQPCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O.C20H25N5O.C20H27N5O.C18H22N4OS2.C15H16N6O2/c26-20-17-8-7-15(13-18(17)24-25-20)21(9-10-21)14-4-3-5-16(12-14)23-19-6-1-2-11-22-19;26-20-16-7-4-13(10-18(16)23-25-20)8-12-2-1-3-15(9-12)21-19-11-17(22-24-19)14-5-6-14;1-20(2,14-7-8-16-17(10-14)23-24-19(16)26)13-5-4-6-15(9-13)22-18-11-25(3)12-21-18;1-11-9-19-18(25-11)20-13-3-2-4-14(8-13)24-10-12-5-6-15-16(7-12)21-22-17(15)23;22-14-12-4-3-11(8-13(12)19-20-14)23-10-2-1-9(7-10)18-15-16-5-6-17-21-15/h1-2,6-8,11,13-14,16H,3-5,9-10,12H2,(H,22,23)(H2,24,25,26);4,7,10-12,14-15H,1-3,5-6,8-9H2,(H2,21,22,24)(H2,23,25,26);7-8,10-13,15,22H,4-6,9H2,1-3H3,(H2,23,24,26);5-7,9,13-14H,2-4,8,10H2,1H3,(H,19,20)(H2,21,22,23);3-6,8-10H,1-2,7H2,(H,16,18,21)(H2,19,20,22).
What are the key properties of 6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one?
6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one has a molecular weight of 1740.24 g/mol, XLogP of 16.89, 22 rotatable bonds, 16 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclohexyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-[(1-methylimidazol-4-yl)amino]cyclohexyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[1-[3-(pyridin-2-ylamino)cyclohexyl]cyclopropyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]oxy-1,2-dihydroindazol-3-one is sourced from PubChem (CID 159873590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).