(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(pyridin-2-ylamino)propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(1,2,4-triazin-3-ylamino)propanoate;6-[2-(pyridin-2-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one

C68H61N25O18 — CID 160518751

IUPAC(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(pyridin-2-ylamino)propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(1,2,4-triazin-3-ylamino)propanoate;6-[2-(pyridin-2-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one
SMILESCn1cnc(NC(=O)CC(=O)Oc2ccc3c(=O)[nH][nH]c3c2)c1.O=C(CC(=O)Oc1ccc2c(=O)[nH][nH]c2c1)Nc1ccccn1.O=C(CC(=O)Oc1ccc2c(=O)[nH][nH]c2c1)Nc1nccnn1.O=c1[nH][nH]c2cc(OCCONc3ccccn3)ccc12.O=c1[nH][nH]c2cc(OCCONc3nccnn3)ccc12
InChIInChI=1S/C15H12N4O4.C14H13N5O4.C14H14N4O3.C13H10N6O4.C12H12N6O3/c20-13(17-12-3-1-2-6-16-12)8-14(21)23-9-4-5-10-11(7-9)18-19-15(10)22;1-19-6-11(15-7-19)16-12(20)5-13(21)23-8-2-3-9-10(4-8)17-18-14(9)22;19-14-11-5-4-10(9-12(11)16-17-14)20-7-8-21-18-13-3-1-2-6-15-13;20-10(16-13-14-3-4-15-19-13)6-11(21)23-7-1-2-8-9(5-7)17-18-12(8)22;19-11-9-2-1-8(7-10(9)15-16-11)20-5-6-21-18-12-13-3-4-14-17-12/h1-7H,8H2,(H,16,17,20)(H2,18,19,22);2-4,6-7H,5H2,1H3,(H,16,20)(H2,17,18,22);1-6,9H,7-8H2,(H,15,18)(H2,16,17,19);1-5H,6H2,(H2,17,18,22)(H,14,16,19,20);1-4,7H,5-6H2,(H,13,17,18)(H2,15,16,19)
InChIKeyQTZNDLUKKOOLBW-UHFFFAOYSA-N
MW1516.39 g/mol
LogP3.82
Rot. Bonds24

About (3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(pyridin-2-ylamino)propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(1,2,4-triazin-3-ylamino)propanoate;6-[2-(pyridin-2-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one

(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(pyridin-2-ylamino)propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(1,2,4-triazin-3-ylamino)propanoate;6-[2-(pyridin-2-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one (PubChem CID 160518751) has the molecular formula C68H61N25O18 and a molecular weight of 1516.39 g/mol. Its IUPAC name is (3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(pyridin-2-ylamino)propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(1,2,4-triazin-3-ylamino)propanoate;6-[2-(pyridin-2-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(pyridin-2-ylamino)propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(1,2,4-triazin-3-ylamino)propanoate;6-[2-(pyridin-2-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one
PubChem CID160518751
Molecular FormulaC68H61N25O18
Molecular Weight1516.39 g/mol
Exact Mass1515.46
IUPAC Name(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(pyridin-2-ylamino)propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(1,2,4-triazin-3-ylamino)propanoate;6-[2-(pyridin-2-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one
SMILESCn1cnc(NC(=O)CC(=O)Oc2ccc3c(=O)[nH][nH]c3c2)c1.O=C(CC(=O)Oc1ccc2c(=O)[nH][nH]c2c1)Nc1ccccn1.O=C(CC(=O)Oc1ccc2c(=O)[nH][nH]c2c1)Nc1nccnn1.O=c1[nH][nH]c2cc(OCCONc3ccccn3)ccc12.O=c1[nH][nH]c2cc(OCCONc3nccnn3)ccc12
InChIInChI=1S/C15H12N4O4.C14H13N5O4.C14H14N4O3.C13H10N6O4.C12H12N6O3/c20-13(17-12-3-1-2-6-16-12)8-14(21)23-9-4-5-10-11(7-9)18-19-15(10)22;1-19-6-11(15-7-19)16-12(20)5-13(21)23-8-2-3-9-10(4-8)17-18-14(9)22;19-14-11-5-4-10(9-12(11)16-17-14)20-7-8-21-18-13-3-1-2-6-15-13;20-10(16-13-14-3-4-15-19-13)6-11(21)23-7-1-2-8-9(5-7)17-18-12(8)22;19-11-9-2-1-8(7-10(9)15-16-11)20-5-6-21-18-12-13-3-4-14-17-12/h1-7H,8H2,(H,16,17,20)(H2,18,19,22);2-4,6-7H,5H2,1H3,(H,16,20)(H2,17,18,22);1-6,9H,7-8H2,(H,15,18)(H2,16,17,19);1-5H,6H2,(H2,17,18,22)(H,14,16,19,20);1-4,7H,5-6H2,(H,13,17,18)(H2,15,16,19)
InChIKeyQTZNDLUKKOOLBW-UHFFFAOYSA-N
XLogP3.82
TPSA591.37 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001516.39
LogP ≤ 53.82
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(pyridin-2-ylamino)propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(1,2,4-triazin-3-ylamino)propanoate;6-[2-(pyridin-2-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(pyridin-2-ylamino)propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(1,2,4-triazin-3-ylamino)propanoate;6-[2-(pyridin-2-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one?
The IUPAC name of (3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(pyridin-2-ylamino)propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(1,2,4-triazin-3-ylamino)propanoate;6-[2-(pyridin-2-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one (CID 160518751) is (3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(pyridin-2-ylamino)propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(1,2,4-triazin-3-ylamino)propanoate;6-[2-(pyridin-2-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one.
What is the SMILES notation for (3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(pyridin-2-ylamino)propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(1,2,4-triazin-3-ylamino)propanoate;6-[2-(pyridin-2-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one?
The canonical SMILES for (3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(pyridin-2-ylamino)propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(1,2,4-triazin-3-ylamino)propanoate;6-[2-(pyridin-2-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one is Cn1cnc(NC(=O)CC(=O)Oc2ccc3c(=O)[nH][nH]c3c2)c1.O=C(CC(=O)Oc1ccc2c(=O)[nH][nH]c2c1)Nc1ccccn1.O=C(CC(=O)Oc1ccc2c(=O)[nH][nH]c2c1)Nc1nccnn1.O=c1[nH][nH]c2cc(OCCONc3ccccn3)ccc12.O=c1[nH][nH]c2cc(OCCONc3nccnn3)ccc12.
What is the InChIKey of (3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(pyridin-2-ylamino)propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(1,2,4-triazin-3-ylamino)propanoate;6-[2-(pyridin-2-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one?
The InChIKey is QTZNDLUKKOOLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4.C14H13N5O4.C14H14N4O3.C13H10N6O4.C12H12N6O3/c20-13(17-12-3-1-2-6-16-12)8-14(21)23-9-4-5-10-11(7-9)18-19-15(10)22;1-19-6-11(15-7-19)16-12(20)5-13(21)23-8-2-3-9-10(4-8)17-18-14(9)22;19-14-11-5-4-10(9-12(11)16-17-14)20-7-8-21-18-13-3-1-2-6-15-13;20-10(16-13-14-3-4-15-19-13)6-11(21)23-7-1-2-8-9(5-7)17-18-12(8)22;19-11-9-2-1-8(7-10(9)15-16-11)20-5-6-21-18-12-13-3-4-14-17-12/h1-7H,8H2,(H,16,17,20)(H2,18,19,22);2-4,6-7H,5H2,1H3,(H,16,20)(H2,17,18,22);1-6,9H,7-8H2,(H,15,18)(H2,16,17,19);1-5H,6H2,(H2,17,18,22)(H,14,16,19,20);1-4,7H,5-6H2,(H,13,17,18)(H2,15,16,19).
What are the key properties of (3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(pyridin-2-ylamino)propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(1,2,4-triazin-3-ylamino)propanoate;6-[2-(pyridin-2-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one?
(3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(pyridin-2-ylamino)propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(1,2,4-triazin-3-ylamino)propanoate;6-[2-(pyridin-2-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one has a molecular weight of 1516.39 g/mol, XLogP of 3.82, 24 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-1,2-dihydroindazol-6-yl) 3-[(1-methylimidazol-4-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(pyridin-2-ylamino)propanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-oxo-3-(1,2,4-triazin-3-ylamino)propanoate;6-[2-(pyridin-2-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-(1,2,4-triazin-3-ylamino)oxyethoxy]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 160518751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).