6-[3-[(1-methylimidazol-4-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;3-[(5-methyl-1,3-thiazol-2-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(pyridin-2-ylamino)propanamide

C71H79N27O9S2 — CID 159951601

About 6-[3-[(1-methylimidazol-4-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;3-[(5-methyl-1,3-thiazol-2-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(pyridin-2-ylamino)propanamide

6-[3-[(1-methylimidazol-4-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;3-[(5-methyl-1,3-thiazol-2-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(pyridin-2-ylamino)propanamide (PubChem CID 159951601) has the molecular formula C71H79N27O9S2 and a molecular weight of 1518.73 g/mol. Its IUPAC name is 6-[3-[(1-methylimidazol-4-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;3-[(5-methyl-1,3-thiazol-2-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(pyridin-2-ylamino)propanamide.

Molecular Properties

• Compound Name: 6-[3-[(1-methylimidazol-4-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;3-[(5-methyl-1,3-thiazol-2-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(pyridin-2-ylamino)propanamide
• PubChem CID: 159951601
• Molecular Formula: C71H79N27O9S2
• Molecular Weight: 1518.73 g/mol
• Exact Mass: 1517.60
• IUPAC Name: 6-[3-[(1-methylimidazol-4-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;3-[(5-methyl-1,3-thiazol-2-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(pyridin-2-ylamino)propanamide
• SMILES: Cc1cnc(NC(=O)CCNc2ccc3c(=O)[nH][nH]c3c2)s1.Cc1cnc(NCCC(=O)Nc2ccc3c(=O)[nH][nH]c3c2)s1.Cn1cnc(NC(=O)CCNc2ccc3c(=O)[nH][nH]c3c2)c1.Cn1cnc(NCCCNc2ccc3c(=O)[nH][nH]c3c2)c1.O=C(CCNc1ccccn1)Nc1ccc2c(=O)[nH][nH]c2c1
• InChI: InChI=1S/C15H15N5O2.C14H16N6O2.C14H18N6O.2C14H15N5O2S/c21-14(6-8-17-13-3-1-2-7-16-13)18-10-4-5-11-12(9-10)19-20-15(11)22;1-20-7-12(16-8-20)17-13(21)4-5-15-9-2-3-10-11(6-9)18-19-14(10)22;1-20-8-13(17-9-20)16-6-2-5-15-10-3-4-11-12(7-10)18-19-14(11)21;1-8-7-16-14(22-8)15-5-4-12(20)17-9-2-3-10-11(6-9)18-19-13(10)21;1-8-7-16-14(22-8)17-12(20)4-5-15-9-2-3-10-11(6-9)18-19-13(10)21/h1-5,7,9H,6,8H2,(H,16,17)(H,18,21)(H2,19,20,22);2-3,6-8,15H,4-5H2,1H3,(H,17,21)(H2,18,19,22);3-4,7-9,15-16H,2,5-6H2,1H3,(H2,18,19,21);2-3,6-7H,4-5H2,1H3,(H,15,16)(H,17,20)(H2,18,19,21);2-3,6-7,15H,4-5H2,1H3,(H,16,17,20)(H2,18,19,21)
• InChIKey: OCELMHFCJWUZQM-UHFFFAOYSA-N
• XLogP: 8.35
• TPSA: 506.14 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1518.73
LogP ≤ 5	8.35
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(1-methylimidazol-4-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;3-[(5-methyl-1,3-thiazol-2-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(pyridin-2-ylamino)propanamide?

The IUPAC name of 6-[3-[(1-methylimidazol-4-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;3-[(5-methyl-1,3-thiazol-2-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(pyridin-2-ylamino)propanamide (CID 159951601) is 6-[3-[(1-methylimidazol-4-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;3-[(5-methyl-1,3-thiazol-2-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(pyridin-2-ylamino)propanamide.

What is the SMILES notation for 6-[3-[(1-methylimidazol-4-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;3-[(5-methyl-1,3-thiazol-2-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(pyridin-2-ylamino)propanamide?

The canonical SMILES for 6-[3-[(1-methylimidazol-4-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;3-[(5-methyl-1,3-thiazol-2-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(pyridin-2-ylamino)propanamide is Cc1cnc(NC(=O)CCNc2ccc3c(=O)[nH][nH]c3c2)s1.Cc1cnc(NCCC(=O)Nc2ccc3c(=O)[nH][nH]c3c2)s1.Cn1cnc(NC(=O)CCNc2ccc3c(=O)[nH][nH]c3c2)c1.Cn1cnc(NCCCNc2ccc3c(=O)[nH][nH]c3c2)c1.O=C(CCNc1ccccn1)Nc1ccc2c(=O)[nH][nH]c2c1.

What is the InChIKey of 6-[3-[(1-methylimidazol-4-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;3-[(5-methyl-1,3-thiazol-2-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(pyridin-2-ylamino)propanamide?

The InChIKey is OCELMHFCJWUZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2.C14H16N6O2.C14H18N6O.2C14H15N5O2S/c21-14(6-8-17-13-3-1-2-7-16-13)18-10-4-5-11-12(9-10)19-20-15(11)22;1-20-7-12(16-8-20)17-13(21)4-5-15-9-2-3-10-11(6-9)18-19-14(10)22;1-20-8-13(17-9-20)16-6-2-5-15-10-3-4-11-12(7-10)18-19-14(11)21;1-8-7-16-14(22-8)15-5-4-12(20)17-9-2-3-10-11(6-9)18-19-13(10)21;1-8-7-16-14(22-8)17-12(20)4-5-15-9-2-3-10-11(6-9)18-19-13(10)21/h1-5,7,9H,6,8H2,(H,16,17)(H,18,21)(H2,19,20,22);2-3,6-8,15H,4-5H2,1H3,(H,17,21)(H2,18,19,22);3-4,7-9,15-16H,2,5-6H2,1H3,(H2,18,19,21);2-3,6-7H,4-5H2,1H3,(H,15,16)(H,17,20)(H2,18,19,21);2-3,6-7,15H,4-5H2,1H3,(H,16,17,20)(H2,18,19,21).

What are the key properties of 6-[3-[(1-methylimidazol-4-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;3-[(5-methyl-1,3-thiazol-2-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(pyridin-2-ylamino)propanamide?

6-[3-[(1-methylimidazol-4-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;3-[(5-methyl-1,3-thiazol-2-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(pyridin-2-ylamino)propanamide has a molecular weight of 1518.73 g/mol, XLogP of 8.35, 26 rotatable bonds, 20 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[(1-methylimidazol-4-yl)amino]propylamino]-1,2-dihydroindazol-3-one;N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;3-[(5-methyl-1,3-thiazol-2-yl)amino]-N-(3-oxo-1,2-dihydroindazol-6-yl)propanamide;N-(5-methyl-1,3-thiazol-2-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)amino]propanamide;N-(3-oxo-1,2-dihydroindazol-6-yl)-3-(pyridin-2-ylamino)propanamide is sourced from PubChem (CID 159951601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).