6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-(1,2,4-triazin-3-ylamino)propanoate

C71H70N24O17S2 — CID 161195906

IUPAC6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-(1,2,4-triazin-3-ylamino)propanoate
SMILESCc1cnc(NC(=O)CC(=O)Oc2ccc3c(=O)[nH][nH]c3c2)s1.Cc1cnc(NOCCOc2ccc3c(=O)[nH][nH]c3c2)s1.O=C(CC(=O)Oc1ccc2c(=O)[nH][nH]c2c1)Nc1cc(C2CC2)[nH]n1.O=C(CCNc1nccnn1)Oc1ccc2c(=O)[nH][nH]c2c1.O=c1[nH][nH]c2cc(OCCONc3cc(C4CC4)[nH]n3)ccc12
InChIInChI=1S/C16H15N5O4.C15H17N5O3.C14H12N4O4S.C13H12N6O3.C13H14N4O3S/c22-14(17-13-6-11(18-20-13)8-1-2-8)7-15(23)25-9-3-4-10-12(5-9)19-21-16(10)24;21-15-11-4-3-10(7-13(11)17-19-15)22-5-6-23-20-14-8-12(16-18-14)9-1-2-9;1-7-6-15-14(23-7)16-11(19)5-12(20)22-8-2-3-9-10(4-8)17-18-13(9)21;20-11(3-4-14-13-15-5-6-16-19-13)22-8-1-2-9-10(7-8)17-18-12(9)21;1-8-7-14-13(21-8)17-20-5-4-19-9-2-3-10-11(6-9)15-16-12(10)18/h3-6,8H,1-2,7H2,(H2,19,21,24)(H2,17,18,20,22);3-4,7-9H,1-2,5-6H2,(H2,16,18,20)(H2,17,19,21);2-4,6H,5H2,1H3,(H,15,16,19)(H2,17,18,21);1-2,5-7H,3-4H2,(H,14,15,19)(H2,17,18,21);2-3,6-7H,4-5H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyUUIKEOHTYGPUMP-UHFFFAOYSA-N
MW1595.63 g/mol
LogP7.32
Rot. Bonds27

About 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-(1,2,4-triazin-3-ylamino)propanoate

6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-(1,2,4-triazin-3-ylamino)propanoate (PubChem CID 161195906) has the molecular formula C71H70N24O17S2 and a molecular weight of 1595.63 g/mol. Its IUPAC name is 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-(1,2,4-triazin-3-ylamino)propanoate.

Molecular Properties

Compound Name6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-(1,2,4-triazin-3-ylamino)propanoate
PubChem CID161195906
Molecular FormulaC71H70N24O17S2
Molecular Weight1595.63 g/mol
Exact Mass1594.48
IUPAC Name6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-(1,2,4-triazin-3-ylamino)propanoate
SMILESCc1cnc(NC(=O)CC(=O)Oc2ccc3c(=O)[nH][nH]c3c2)s1.Cc1cnc(NOCCOc2ccc3c(=O)[nH][nH]c3c2)s1.O=C(CC(=O)Oc1ccc2c(=O)[nH][nH]c2c1)Nc1cc(C2CC2)[nH]n1.O=C(CCNc1nccnn1)Oc1ccc2c(=O)[nH][nH]c2c1.O=c1[nH][nH]c2cc(OCCONc3cc(C4CC4)[nH]n3)ccc12
InChIInChI=1S/C16H15N5O4.C15H17N5O3.C14H12N4O4S.C13H12N6O3.C13H14N4O3S/c22-14(17-13-6-11(18-20-13)8-1-2-8)7-15(23)25-9-3-4-10-12(5-9)19-21-16(10)24;21-15-11-4-3-10(7-13(11)17-19-15)22-5-6-23-20-14-8-12(16-18-14)9-1-2-9;1-7-6-15-14(23-7)16-11(19)5-12(20)22-8-2-3-9-10(4-8)17-18-13(9)21;20-11(3-4-14-13-15-5-6-16-19-13)22-8-1-2-9-10(7-8)17-18-12(9)21;1-8-7-14-13(21-8)17-20-5-4-19-9-2-3-10-11(6-9)15-16-12(10)18/h3-6,8H,1-2,7H2,(H2,19,21,24)(H2,17,18,20,22);3-4,7-9H,1-2,5-6H2,(H2,16,18,20)(H2,17,19,21);2-4,6H,5H2,1H3,(H,15,16,19)(H2,17,18,21);1-2,5-7H,3-4H2,(H,14,15,19)(H2,17,18,21);2-3,6-7H,4-5H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyUUIKEOHTYGPUMP-UHFFFAOYSA-N
XLogP7.32
TPSA575.17 Ų
H-Bond Donors17
H-Bond Acceptors29
Rotatable Bonds27
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001595.63
LogP ≤ 57.32
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1029

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 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-(1,2,4-triazin-3-ylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-(1,2,4-triazin-3-ylamino)propanoate?
The IUPAC name of 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-(1,2,4-triazin-3-ylamino)propanoate (CID 161195906) is 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-(1,2,4-triazin-3-ylamino)propanoate.
What is the SMILES notation for 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-(1,2,4-triazin-3-ylamino)propanoate?
The canonical SMILES for 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-(1,2,4-triazin-3-ylamino)propanoate is Cc1cnc(NC(=O)CC(=O)Oc2ccc3c(=O)[nH][nH]c3c2)s1.Cc1cnc(NOCCOc2ccc3c(=O)[nH][nH]c3c2)s1.O=C(CC(=O)Oc1ccc2c(=O)[nH][nH]c2c1)Nc1cc(C2CC2)[nH]n1.O=C(CCNc1nccnn1)Oc1ccc2c(=O)[nH][nH]c2c1.O=c1[nH][nH]c2cc(OCCONc3cc(C4CC4)[nH]n3)ccc12.
What is the InChIKey of 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-(1,2,4-triazin-3-ylamino)propanoate?
The InChIKey is UUIKEOHTYGPUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O4.C15H17N5O3.C14H12N4O4S.C13H12N6O3.C13H14N4O3S/c22-14(17-13-6-11(18-20-13)8-1-2-8)7-15(23)25-9-3-4-10-12(5-9)19-21-16(10)24;21-15-11-4-3-10(7-13(11)17-19-15)22-5-6-23-20-14-8-12(16-18-14)9-1-2-9;1-7-6-15-14(23-7)16-11(19)5-12(20)22-8-2-3-9-10(4-8)17-18-13(9)21;20-11(3-4-14-13-15-5-6-16-19-13)22-8-1-2-9-10(7-8)17-18-12(9)21;1-8-7-14-13(21-8)17-20-5-4-19-9-2-3-10-11(6-9)15-16-12(10)18/h3-6,8H,1-2,7H2,(H2,19,21,24)(H2,17,18,20,22);3-4,7-9H,1-2,5-6H2,(H2,16,18,20)(H2,17,19,21);2-4,6H,5H2,1H3,(H,15,16,19)(H2,17,18,21);1-2,5-7H,3-4H2,(H,14,15,19)(H2,17,18,21);2-3,6-7H,4-5H2,1H3,(H,14,17)(H2,15,16,18).
What are the key properties of 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-(1,2,4-triazin-3-ylamino)propanoate?
6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-(1,2,4-triazin-3-ylamino)propanoate has a molecular weight of 1595.63 g/mol, XLogP of 7.32, 27 rotatable bonds, 17 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethoxy]-1,2-dihydroindazol-3-one;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropanoate;(3-oxo-1,2-dihydroindazol-6-yl) 3-(1,2,4-triazin-3-ylamino)propanoate is sourced from PubChem (CID 161195906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).