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

C92H111N23O10S2 — CID 160646759

IUPAC6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylpyrrol-3-yl)amino]oxan-3-yl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[2-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(pyridin-2-ylamino)oxan-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]methoxy]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2COCC(C(C)(C)c3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1ccc(NC2COCC(SCc3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(CC3COCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12.O=c1[nH][nH]c2cc(CCC3COCC(Nc4ccccn4)C3)ccc12.O=c1[nH][nH]c2cc(OCC3CCCC(Nc4nccnn4)C3)ccc12
InChIInChI=1S/C19H23N5O2.C19H24N4O2S.C19H22N4O2.C18H22N4O2S.C17H20N6O2/c25-19-15-4-1-11(7-17(15)22-24-19)5-12-6-14(10-26-9-12)20-18-8-16(21-23-18)13-2-3-13;1-11-8-20-18(26-11)21-14-6-13(9-25-10-14)19(2,3)12-4-5-15-16(7-12)22-23-17(15)24;24-19-16-7-6-13(10-17(16)22-23-19)4-5-14-9-15(12-25-11-14)21-18-3-1-2-8-20-18;1-22-5-4-13(8-22)19-14-7-15(10-24-9-14)25-11-12-2-3-16-17(6-12)20-21-18(16)23;24-16-14-5-4-13(9-15(14)21-22-16)25-10-11-2-1-3-12(8-11)20-17-18-6-7-19-23-17/h1,4,7-8,12-14H,2-3,5-6,9-10H2,(H2,20,21,23)(H2,22,24,25);4-5,7-8,13-14H,6,9-10H2,1-3H3,(H,20,21)(H2,22,23,24);1-3,6-8,10,14-15H,4-5,9,11-12H2,(H,20,21)(H2,22,23,24);2-6,8,14-15,19H,7,9-11H2,1H3,(H2,20,21,23);4-7,9,11-12H,1-3,8,10H2,(H,18,20,23)(H2,21,22,24)
InChIKeyRJWMGJHSJYFFCU-UHFFFAOYSA-N
MW1763.18 g/mol
LogP13.42
Rot. Bonds24

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

6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylpyrrol-3-yl)amino]oxan-3-yl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[2-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(pyridin-2-ylamino)oxan-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]methoxy]-1,2-dihydroindazol-3-one (PubChem CID 160646759) has the molecular formula C92H111N23O10S2 and a molecular weight of 1763.18 g/mol. Its IUPAC name is 6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylpyrrol-3-yl)amino]oxan-3-yl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[2-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(pyridin-2-ylamino)oxan-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]methoxy]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylpyrrol-3-yl)amino]oxan-3-yl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[2-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(pyridin-2-ylamino)oxan-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]methoxy]-1,2-dihydroindazol-3-one
PubChem CID160646759
Molecular FormulaC92H111N23O10S2
Molecular Weight1763.18 g/mol
Exact Mass1761.83
IUPAC Name6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylpyrrol-3-yl)amino]oxan-3-yl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[2-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(pyridin-2-ylamino)oxan-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]methoxy]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2COCC(C(C)(C)c3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1ccc(NC2COCC(SCc3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(CC3COCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12.O=c1[nH][nH]c2cc(CCC3COCC(Nc4ccccn4)C3)ccc12.O=c1[nH][nH]c2cc(OCC3CCCC(Nc4nccnn4)C3)ccc12
InChIInChI=1S/C19H23N5O2.C19H24N4O2S.C19H22N4O2.C18H22N4O2S.C17H20N6O2/c25-19-15-4-1-11(7-17(15)22-24-19)5-12-6-14(10-26-9-12)20-18-8-16(21-23-18)13-2-3-13;1-11-8-20-18(26-11)21-14-6-13(9-25-10-14)19(2,3)12-4-5-15-16(7-12)22-23-17(15)24;24-19-16-7-6-13(10-17(16)22-23-19)4-5-14-9-15(12-25-11-14)21-18-3-1-2-8-20-18;1-22-5-4-13(8-22)19-14-7-15(10-24-9-14)25-11-12-2-3-16-17(6-12)20-21-18(16)23;24-16-14-5-4-13(9-15(14)21-22-16)25-10-11-2-1-3-12(8-11)20-17-18-6-7-19-23-17/h1,4,7-8,12-14H,2-3,5-6,9-10H2,(H2,20,21,23)(H2,22,24,25);4-5,7-8,13-14H,6,9-10H2,1-3H3,(H,20,21)(H2,22,23,24);1-3,6-8,10,14-15H,4-5,9,11-12H2,(H,20,21)(H2,22,23,24);2-6,8,14-15,19H,7,9-11H2,1H3,(H2,20,21,23);4-7,9,11-12H,1-3,8,10H2,(H,18,20,23)(H2,21,22,24)
InChIKeyRJWMGJHSJYFFCU-UHFFFAOYSA-N
XLogP13.42
TPSA447.61 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001763.18
LogP ≤ 513.42
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

Analyze 6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylpyrrol-3-yl)amino]oxan-3-yl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[2-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(pyridin-2-ylamino)oxan-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]methoxy]-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]methyl]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylpyrrol-3-yl)amino]oxan-3-yl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[2-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(pyridin-2-ylamino)oxan-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]methoxy]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylpyrrol-3-yl)amino]oxan-3-yl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[2-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(pyridin-2-ylamino)oxan-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]methoxy]-1,2-dihydroindazol-3-one (CID 160646759) is 6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylpyrrol-3-yl)amino]oxan-3-yl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[2-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(pyridin-2-ylamino)oxan-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]methoxy]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylpyrrol-3-yl)amino]oxan-3-yl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[2-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(pyridin-2-ylamino)oxan-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]methoxy]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylpyrrol-3-yl)amino]oxan-3-yl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[2-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(pyridin-2-ylamino)oxan-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]methoxy]-1,2-dihydroindazol-3-one is Cc1cnc(NC2COCC(C(C)(C)c3ccc4c(=O)[nH][nH]c4c3)C2)s1.Cn1ccc(NC2COCC(SCc3ccc4c(=O)[nH][nH]c4c3)C2)c1.O=c1[nH][nH]c2cc(CC3COCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12.O=c1[nH][nH]c2cc(CCC3COCC(Nc4ccccn4)C3)ccc12.O=c1[nH][nH]c2cc(OCC3CCCC(Nc4nccnn4)C3)ccc12.
What is the InChIKey of 6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylpyrrol-3-yl)amino]oxan-3-yl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[2-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(pyridin-2-ylamino)oxan-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]methoxy]-1,2-dihydroindazol-3-one?
The InChIKey is RJWMGJHSJYFFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2.C19H24N4O2S.C19H22N4O2.C18H22N4O2S.C17H20N6O2/c25-19-15-4-1-11(7-17(15)22-24-19)5-12-6-14(10-26-9-12)20-18-8-16(21-23-18)13-2-3-13;1-11-8-20-18(26-11)21-14-6-13(9-25-10-14)19(2,3)12-4-5-15-16(7-12)22-23-17(15)24;24-19-16-7-6-13(10-17(16)22-23-19)4-5-14-9-15(12-25-11-14)21-18-3-1-2-8-20-18;1-22-5-4-13(8-22)19-14-7-15(10-24-9-14)25-11-12-2-3-16-17(6-12)20-21-18(16)23;24-16-14-5-4-13(9-15(14)21-22-16)25-10-11-2-1-3-12(8-11)20-17-18-6-7-19-23-17/h1,4,7-8,12-14H,2-3,5-6,9-10H2,(H2,20,21,23)(H2,22,24,25);4-5,7-8,13-14H,6,9-10H2,1-3H3,(H,20,21)(H2,22,23,24);1-3,6-8,10,14-15H,4-5,9,11-12H2,(H,20,21)(H2,22,23,24);2-6,8,14-15,19H,7,9-11H2,1H3,(H2,20,21,23);4-7,9,11-12H,1-3,8,10H2,(H,18,20,23)(H2,21,22,24).
What are the key properties of 6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylpyrrol-3-yl)amino]oxan-3-yl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[2-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(pyridin-2-ylamino)oxan-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]methoxy]-1,2-dihydroindazol-3-one?
6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylpyrrol-3-yl)amino]oxan-3-yl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[2-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(pyridin-2-ylamino)oxan-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]methoxy]-1,2-dihydroindazol-3-one has a molecular weight of 1763.18 g/mol, XLogP of 13.42, 24 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxan-3-yl]methyl]-1,2-dihydroindazol-3-one;6-[[5-[(1-methylpyrrol-3-yl)amino]oxan-3-yl]sulfanylmethyl]-1,2-dihydroindazol-3-one;6-[2-[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]propan-2-yl]-1,2-dihydroindazol-3-one;6-[2-[5-(pyridin-2-ylamino)oxan-3-yl]ethyl]-1,2-dihydroindazol-3-one;6-[[3-(1,2,4-triazin-3-ylamino)cyclohexyl]methoxy]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 160646759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).