6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethoxyamino]-1,2-dihydroindazol-3-one;6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N'-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(3-oxo-1,2-dihydroindazol-6-yl)propanediamide;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(1,2,4-triazin-3-ylamino)propanamide

C72H80N30O11S — CID 159240306

IUPAC6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethoxyamino]-1,2-dihydroindazol-3-one;6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N'-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(3-oxo-1,2-dihydroindazol-6-yl)propanediamide;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(1,2,4-triazin-3-ylamino)propanamide
SMILESCc1cnc(NOCCNc2ccc3c(=O)[nH][nH]c3c2)s1.O=C(CC(=O)Nc1cc(C2CC2)[nH]n1)Nc1ccc2c(=O)[nH][nH]c2c1.O=C(CCNc1nccnn1)Nc1ccc2c(=O)[nH][nH]c2c1.O=c1[nH][nH]c2cc(NCCONc3cc(C4CC4)[nH]n3)ccc12.O=c1[nH][nH]c2cc(NOCCNc3cc(C4CC4)[nH]n3)ccc12
InChIInChI=1S/C16H16N6O3.2C15H18N6O2.C13H13N7O2.C13H15N5O2S/c23-14(17-9-3-4-10-12(5-9)20-22-16(10)25)7-15(24)18-13-6-11(19-21-13)8-1-2-8;22-15-11-4-3-10(7-13(11)18-20-15)21-23-6-5-16-14-8-12(17-19-14)9-1-2-9;22-15-11-4-3-10(7-13(11)18-20-15)16-5-6-23-21-14-8-12(17-19-14)9-1-2-9;21-11(3-4-14-13-15-5-6-16-20-13)17-8-1-2-9-10(7-8)18-19-12(9)22;1-8-7-15-13(21-8)18-20-5-4-14-9-2-3-10-11(6-9)16-17-12(10)19/h3-6,8H,1-2,7H2,(H,17,23)(H2,20,22,25)(H2,18,19,21,24);3-4,7-9,21H,1-2,5-6H2,(H2,16,17,19)(H2,18,20,22);3-4,7-9,16H,1-2,5-6H2,(H2,17,19,21)(H2,18,20,22);1-2,5-7H,3-4H2,(H,17,21)(H,14,15,20)(H2,18,19,22);2-3,6-7,14H,4-5H2,1H3,(H,15,18)(H2,16,17,19)
InChIKeyKTZSHQKJUMBXDY-UHFFFAOYSA-N
MW1573.70 g/mol
LogP7.81
Rot. Bonds30

About 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethoxyamino]-1,2-dihydroindazol-3-one;6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N'-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(3-oxo-1,2-dihydroindazol-6-yl)propanediamide;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(1,2,4-triazin-3-ylamino)propanamide

6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethoxyamino]-1,2-dihydroindazol-3-one;6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N'-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(3-oxo-1,2-dihydroindazol-6-yl)propanediamide;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(1,2,4-triazin-3-ylamino)propanamide (PubChem CID 159240306) has the molecular formula C72H80N30O11S and a molecular weight of 1573.70 g/mol. Its IUPAC name is 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethoxyamino]-1,2-dihydroindazol-3-one;6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N'-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(3-oxo-1,2-dihydroindazol-6-yl)propanediamide;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(1,2,4-triazin-3-ylamino)propanamide.

Molecular Properties

Compound Name6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethoxyamino]-1,2-dihydroindazol-3-one;6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N'-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(3-oxo-1,2-dihydroindazol-6-yl)propanediamide;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(1,2,4-triazin-3-ylamino)propanamide
PubChem CID159240306
Molecular FormulaC72H80N30O11S
Molecular Weight1573.70 g/mol
Exact Mass1572.63
IUPAC Name6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethoxyamino]-1,2-dihydroindazol-3-one;6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N'-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(3-oxo-1,2-dihydroindazol-6-yl)propanediamide;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(1,2,4-triazin-3-ylamino)propanamide
SMILESCc1cnc(NOCCNc2ccc3c(=O)[nH][nH]c3c2)s1.O=C(CC(=O)Nc1cc(C2CC2)[nH]n1)Nc1ccc2c(=O)[nH][nH]c2c1.O=C(CCNc1nccnn1)Nc1ccc2c(=O)[nH][nH]c2c1.O=c1[nH][nH]c2cc(NCCONc3cc(C4CC4)[nH]n3)ccc12.O=c1[nH][nH]c2cc(NOCCNc3cc(C4CC4)[nH]n3)ccc12
InChIInChI=1S/C16H16N6O3.2C15H18N6O2.C13H13N7O2.C13H15N5O2S/c23-14(17-9-3-4-10-12(5-9)20-22-16(10)25)7-15(24)18-13-6-11(19-21-13)8-1-2-8;22-15-11-4-3-10(7-13(11)18-20-15)21-23-6-5-16-14-8-12(17-19-14)9-1-2-9;22-15-11-4-3-10(7-13(11)18-20-15)16-5-6-23-21-14-8-12(17-19-14)9-1-2-9;21-11(3-4-14-13-15-5-6-16-20-13)17-8-1-2-9-10(7-8)18-19-12(9)22;1-8-7-15-13(21-8)18-20-5-4-14-9-2-3-10-11(6-9)16-17-12(10)19/h3-6,8H,1-2,7H2,(H,17,23)(H2,20,22,25)(H2,18,19,21,24);3-4,7-9,21H,1-2,5-6H2,(H2,16,17,19)(H2,18,20,22);3-4,7-9,16H,1-2,5-6H2,(H2,17,19,21)(H2,18,20,22);1-2,5-7H,3-4H2,(H,17,21)(H,14,15,20)(H2,18,19,22);2-3,6-7,14H,4-5H2,1H3,(H,15,18)(H2,16,17,19)
InChIKeyKTZSHQKJUMBXDY-UHFFFAOYSA-N
XLogP7.81
TPSA580.05 Ų
H-Bond Donors23
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001573.70
LogP ≤ 57.81
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1026

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'}

Analyze 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethoxyamino]-1,2-dihydroindazol-3-one;6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N'-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(3-oxo-1,2-dihydroindazol-6-yl)propanediamide;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(1,2,4-triazin-3-ylamino)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethoxyamino]-1,2-dihydroindazol-3-one;6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N'-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(3-oxo-1,2-dihydroindazol-6-yl)propanediamide;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(1,2,4-triazin-3-ylamino)propanamide?
The IUPAC name of 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethoxyamino]-1,2-dihydroindazol-3-one;6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N'-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(3-oxo-1,2-dihydroindazol-6-yl)propanediamide;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(1,2,4-triazin-3-ylamino)propanamide (CID 159240306) is 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethoxyamino]-1,2-dihydroindazol-3-one;6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N'-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(3-oxo-1,2-dihydroindazol-6-yl)propanediamide;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(1,2,4-triazin-3-ylamino)propanamide.
What is the SMILES notation for 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethoxyamino]-1,2-dihydroindazol-3-one;6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N'-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(3-oxo-1,2-dihydroindazol-6-yl)propanediamide;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(1,2,4-triazin-3-ylamino)propanamide?
The canonical SMILES for 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethoxyamino]-1,2-dihydroindazol-3-one;6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N'-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(3-oxo-1,2-dihydroindazol-6-yl)propanediamide;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(1,2,4-triazin-3-ylamino)propanamide is Cc1cnc(NOCCNc2ccc3c(=O)[nH][nH]c3c2)s1.O=C(CC(=O)Nc1cc(C2CC2)[nH]n1)Nc1ccc2c(=O)[nH][nH]c2c1.O=C(CCNc1nccnn1)Nc1ccc2c(=O)[nH][nH]c2c1.O=c1[nH][nH]c2cc(NCCONc3cc(C4CC4)[nH]n3)ccc12.O=c1[nH][nH]c2cc(NOCCNc3cc(C4CC4)[nH]n3)ccc12.
What is the InChIKey of 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethoxyamino]-1,2-dihydroindazol-3-one;6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N'-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(3-oxo-1,2-dihydroindazol-6-yl)propanediamide;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(1,2,4-triazin-3-ylamino)propanamide?
The InChIKey is KTZSHQKJUMBXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3.2C15H18N6O2.C13H13N7O2.C13H15N5O2S/c23-14(17-9-3-4-10-12(5-9)20-22-16(10)25)7-15(24)18-13-6-11(19-21-13)8-1-2-8;22-15-11-4-3-10(7-13(11)18-20-15)21-23-6-5-16-14-8-12(17-19-14)9-1-2-9;22-15-11-4-3-10(7-13(11)18-20-15)16-5-6-23-21-14-8-12(17-19-14)9-1-2-9;21-11(3-4-14-13-15-5-6-16-20-13)17-8-1-2-9-10(7-8)18-19-12(9)22;1-8-7-15-13(21-8)18-20-5-4-14-9-2-3-10-11(6-9)16-17-12(10)19/h3-6,8H,1-2,7H2,(H,17,23)(H2,20,22,25)(H2,18,19,21,24);3-4,7-9,21H,1-2,5-6H2,(H2,16,17,19)(H2,18,20,22);3-4,7-9,16H,1-2,5-6H2,(H2,17,19,21)(H2,18,20,22);1-2,5-7H,3-4H2,(H,17,21)(H,14,15,20)(H2,18,19,22);2-3,6-7,14H,4-5H2,1H3,(H,15,18)(H2,16,17,19).
What are the key properties of 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethoxyamino]-1,2-dihydroindazol-3-one;6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N'-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(3-oxo-1,2-dihydroindazol-6-yl)propanediamide;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(1,2,4-triazin-3-ylamino)propanamide?
6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethoxyamino]-1,2-dihydroindazol-3-one;6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N'-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(3-oxo-1,2-dihydroindazol-6-yl)propanediamide;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(1,2,4-triazin-3-ylamino)propanamide has a molecular weight of 1573.70 g/mol, XLogP of 7.81, 30 rotatable bonds, 23 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethoxyamino]-1,2-dihydroindazol-3-one;6-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N'-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(3-oxo-1,2-dihydroindazol-6-yl)propanediamide;6-[2-[(5-methyl-1,3-thiazol-2-yl)amino]oxyethylamino]-1,2-dihydroindazol-3-one;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(1,2,4-triazin-3-ylamino)propanamide is sourced from PubChem (CID 159240306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).