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

C92H110N24O8S — CID 158028988

IUPAC6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-(pyridin-2-ylamino)cyclopentyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]cyclopropyl]-1,2-dihydroindazol-3-one
SMILESCC(C)(c1ccc2c(=O)[nH][nH]c2c1)C1CCC(Nc2ccccn2)C1.Cc1cnc(NC2CCC(Cc3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1cnc(NC2CCC(COCc3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(C3CC3C3COCC(Nc4nccnn4)C3)ccc12.O=c1[nH][nH]c2cc(COC3CCCC3Nc3cc(C4CC4)[nH]n3)ccc12
InChIInChI=1S/C20H24N4O.C19H23N5O2.C18H20N6O2.C18H23N5O2.C17H20N4OS/c1-20(2,14-7-9-16-17(12-14)23-24-19(16)25)13-6-8-15(11-13)22-18-5-3-4-10-21-18;25-19-13-7-4-11(8-16(13)22-24-19)10-26-17-3-1-2-14(17)20-18-9-15(21-23-18)12-5-6-12;25-17-13-2-1-10(6-16(13)22-23-17)14-7-15(14)11-5-12(9-26-8-11)21-18-19-3-4-20-24-18;1-23-8-17(19-11-23)20-14-4-2-12(6-14)9-25-10-13-3-5-15-16(7-13)21-22-18(15)24;1-10-9-18-17(23-10)19-13-4-2-11(7-13)6-12-3-5-14-15(8-12)20-21-16(14)22/h3-5,7,9-10,12-13,15H,6,8,11H2,1-2H3,(H,21,22)(H2,23,24,25);4,7-9,12,14,17H,1-3,5-6,10H2,(H2,20,21,23)(H2,22,24,25);1-4,6,11-12,14-15H,5,7-9H2,(H,19,21,24)(H2,22,23,25);3,5,7-8,11-12,14,20H,2,4,6,9-10H2,1H3,(H2,21,22,24);3,5,8-9,11,13H,2,4,6-7H2,1H3,(H,18,19)(H2,20,21,22)
InChIKeyFGYKYKAVUMZQFO-UHFFFAOYSA-N
MW1712.12 g/mol
LogP14.31
Rot. Bonds24

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

6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-(pyridin-2-ylamino)cyclopentyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]cyclopropyl]-1,2-dihydroindazol-3-one (PubChem CID 158028988) has the molecular formula C92H110N24O8S and a molecular weight of 1712.12 g/mol. Its IUPAC name is 6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-(pyridin-2-ylamino)cyclopentyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]cyclopropyl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-(pyridin-2-ylamino)cyclopentyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]cyclopropyl]-1,2-dihydroindazol-3-one
PubChem CID158028988
Molecular FormulaC92H110N24O8S
Molecular Weight1712.12 g/mol
Exact Mass1710.87
IUPAC Name6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-(pyridin-2-ylamino)cyclopentyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]cyclopropyl]-1,2-dihydroindazol-3-one
SMILESCC(C)(c1ccc2c(=O)[nH][nH]c2c1)C1CCC(Nc2ccccn2)C1.Cc1cnc(NC2CCC(Cc3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1cnc(NC2CCC(COCc3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(C3CC3C3COCC(Nc4nccnn4)C3)ccc12.O=c1[nH][nH]c2cc(COC3CCCC3Nc3cc(C4CC4)[nH]n3)ccc12
InChIInChI=1S/C20H24N4O.C19H23N5O2.C18H20N6O2.C18H23N5O2.C17H20N4OS/c1-20(2,14-7-9-16-17(12-14)23-24-19(16)25)13-6-8-15(11-13)22-18-5-3-4-10-21-18;25-19-13-7-4-11(8-16(13)22-24-19)10-26-17-3-1-2-14(17)20-18-9-15(21-23-18)12-5-6-12;25-17-13-2-1-10(6-16(13)22-23-17)14-7-15(14)11-5-12(9-26-8-11)21-18-19-3-4-20-24-18;1-23-8-17(19-11-23)20-14-4-2-12(6-14)9-25-10-13-3-5-15-16(7-13)21-22-18(15)24;1-10-9-18-17(23-10)19-13-4-2-11(7-13)6-12-3-5-14-15(8-12)20-21-16(14)22/h3-5,7,9-10,12-13,15H,6,8,11H2,1-2H3,(H,21,22)(H2,23,24,25);4,7-9,12,14,17H,1-3,5-6,10H2,(H2,20,21,23)(H2,22,24,25);1-4,6,11-12,14-15H,5,7-9H2,(H,19,21,24)(H2,22,23,25);3,5,7-8,11-12,14,20H,2,4,6,9-10H2,1H3,(H2,21,22,24);3,5,8-9,11,13H,2,4,6-7H2,1H3,(H,18,19)(H2,20,21,22)
InChIKeyFGYKYKAVUMZQFO-UHFFFAOYSA-N
XLogP14.31
TPSA442.04 Ų
H-Bond Donors16
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001712.12
LogP ≤ 514.31
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1022

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-(pyridin-2-ylamino)cyclopentyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]cyclopropyl]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-(pyridin-2-ylamino)cyclopentyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]cyclopropyl]-1,2-dihydroindazol-3-one (CID 158028988) is 6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-(pyridin-2-ylamino)cyclopentyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]cyclopropyl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-(pyridin-2-ylamino)cyclopentyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]cyclopropyl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-(pyridin-2-ylamino)cyclopentyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]cyclopropyl]-1,2-dihydroindazol-3-one is CC(C)(c1ccc2c(=O)[nH][nH]c2c1)C1CCC(Nc2ccccn2)C1.Cc1cnc(NC2CCC(Cc3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1cnc(NC2CCC(COCc3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(C3CC3C3COCC(Nc4nccnn4)C3)ccc12.O=c1[nH][nH]c2cc(COC3CCCC3Nc3cc(C4CC4)[nH]n3)ccc12.
What is the InChIKey of 6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-(pyridin-2-ylamino)cyclopentyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]cyclopropyl]-1,2-dihydroindazol-3-one?
The InChIKey is FGYKYKAVUMZQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.C19H23N5O2.C18H20N6O2.C18H23N5O2.C17H20N4OS/c1-20(2,14-7-9-16-17(12-14)23-24-19(16)25)13-6-8-15(11-13)22-18-5-3-4-10-21-18;25-19-13-7-4-11(8-16(13)22-24-19)10-26-17-3-1-2-14(17)20-18-9-15(21-23-18)12-5-6-12;25-17-13-2-1-10(6-16(13)22-23-17)14-7-15(14)11-5-12(9-26-8-11)21-18-19-3-4-20-24-18;1-23-8-17(19-11-23)20-14-4-2-12(6-14)9-25-10-13-3-5-15-16(7-13)21-22-18(15)24;1-10-9-18-17(23-10)19-13-4-2-11(7-13)6-12-3-5-14-15(8-12)20-21-16(14)22/h3-5,7,9-10,12-13,15H,6,8,11H2,1-2H3,(H,21,22)(H2,23,24,25);4,7-9,12,14,17H,1-3,5-6,10H2,(H2,20,21,23)(H2,22,24,25);1-4,6,11-12,14-15H,5,7-9H2,(H,19,21,24)(H2,22,23,25);3,5,7-8,11-12,14,20H,2,4,6,9-10H2,1H3,(H2,21,22,24);3,5,8-9,11,13H,2,4,6-7H2,1H3,(H,18,19)(H2,20,21,22).
What are the key properties of 6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-(pyridin-2-ylamino)cyclopentyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]cyclopropyl]-1,2-dihydroindazol-3-one?
6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-(pyridin-2-ylamino)cyclopentyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]cyclopropyl]-1,2-dihydroindazol-3-one has a molecular weight of 1712.12 g/mol, XLogP of 14.31, 24 rotatable bonds, 16 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]cyclopentyl]oxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(1-methylimidazol-4-yl)amino]cyclopentyl]methoxymethyl]-1,2-dihydroindazol-3-one;6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]methyl]-1,2-dihydroindazol-3-one;6-[2-[3-(pyridin-2-ylamino)cyclopentyl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]cyclopropyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 158028988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).