N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]propanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-pyridin-2-ylpropanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-(1,2,4-triazin-3-yl)propanamide;6-[3-(pyridin-2-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one

C70H71N25O8S5 — CID 157420250

About N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]propanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-pyridin-2-ylpropanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-(1,2,4-triazin-3-yl)propanamide;6-[3-(pyridin-2-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one

N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]propanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-pyridin-2-ylpropanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-(1,2,4-triazin-3-yl)propanamide;6-[3-(pyridin-2-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one (PubChem CID 157420250) has the molecular formula C70H71N25O8S5 and a molecular weight of 1550.84 g/mol. Its IUPAC name is N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]propanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-pyridin-2-ylpropanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-(1,2,4-triazin-3-yl)propanamide;6-[3-(pyridin-2-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]propanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-pyridin-2-ylpropanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-(1,2,4-triazin-3-yl)propanamide;6-[3-(pyridin-2-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one
• PubChem CID: 157420250
• Molecular Formula: C70H71N25O8S5
• Molecular Weight: 1550.84 g/mol
• Exact Mass: 1549.45
• IUPAC Name: N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]propanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-pyridin-2-ylpropanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-(1,2,4-triazin-3-yl)propanamide;6-[3-(pyridin-2-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one
• SMILES: Cn1cnc(NC(=O)CCSc2ccc3c(=O)[nH][nH]c3c2)c1.O=C(CCSc1ccc2c(=O)[nH][nH]c2c1)Nc1ccccn1.O=C(CCSc1ccc2c(=O)[nH][nH]c2c1)Nc1nccnn1.O=c1[nH][nH]c2cc(SCCCNc3ccccn3)ccc12.O=c1[nH][nH]c2cc(SCCCNc3nccnn3)ccc12
• InChI: InChI=1S/C15H14N4O2S.C15H16N4OS.C14H15N5O2S.C13H12N6O2S.C13H14N6OS/c20-14(17-13-3-1-2-7-16-13)6-8-22-10-4-5-11-12(9-10)18-19-15(11)21;20-15-12-6-5-11(10-13(12)18-19-15)21-9-3-8-17-14-4-1-2-7-16-14;1-19-7-12(15-8-19)16-13(20)4-5-22-9-2-3-10-11(6-9)17-18-14(10)21;20-11(16-13-14-4-5-15-19-13)3-6-22-8-1-2-9-10(7-8)17-18-12(9)21;20-12-10-3-2-9(8-11(10)17-18-12)21-7-1-4-14-13-15-5-6-16-19-13/h1-5,7,9H,6,8H2,(H,16,17,20)(H2,18,19,21);1-2,4-7,10H,3,8-9H2,(H,16,17)(H2,18,19,20);2-3,6-8H,4-5H2,1H3,(H,16,20)(H2,17,18,21);1-2,4-5,7H,3,6H2,(H2,17,18,21)(H,14,16,19,20);2-3,5-6,8H,1,4,7H2,(H,14,15,19)(H2,17,18,20)
• InChIKey: BPHZEOUFYAPFJN-UHFFFAOYSA-N
• XLogP: 9.73
• TPSA: 475.55 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1550.84
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]propanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-pyridin-2-ylpropanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-(1,2,4-triazin-3-yl)propanamide;6-[3-(pyridin-2-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one?

The IUPAC name of N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]propanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-pyridin-2-ylpropanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-(1,2,4-triazin-3-yl)propanamide;6-[3-(pyridin-2-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one (CID 157420250) is N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]propanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-pyridin-2-ylpropanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-(1,2,4-triazin-3-yl)propanamide;6-[3-(pyridin-2-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one.

What is the SMILES notation for N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]propanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-pyridin-2-ylpropanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-(1,2,4-triazin-3-yl)propanamide;6-[3-(pyridin-2-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one?

The canonical SMILES for N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]propanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-pyridin-2-ylpropanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-(1,2,4-triazin-3-yl)propanamide;6-[3-(pyridin-2-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one is Cn1cnc(NC(=O)CCSc2ccc3c(=O)[nH][nH]c3c2)c1.O=C(CCSc1ccc2c(=O)[nH][nH]c2c1)Nc1ccccn1.O=C(CCSc1ccc2c(=O)[nH][nH]c2c1)Nc1nccnn1.O=c1[nH][nH]c2cc(SCCCNc3ccccn3)ccc12.O=c1[nH][nH]c2cc(SCCCNc3nccnn3)ccc12.

What is the InChIKey of N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]propanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-pyridin-2-ylpropanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-(1,2,4-triazin-3-yl)propanamide;6-[3-(pyridin-2-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one?

The InChIKey is BPHZEOUFYAPFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S.C15H16N4OS.C14H15N5O2S.C13H12N6O2S.C13H14N6OS/c20-14(17-13-3-1-2-7-16-13)6-8-22-10-4-5-11-12(9-10)18-19-15(11)21;20-15-12-6-5-11(10-13(12)18-19-15)21-9-3-8-17-14-4-1-2-7-16-14;1-19-7-12(15-8-19)16-13(20)4-5-22-9-2-3-10-11(6-9)17-18-14(10)21;20-11(16-13-14-4-5-15-19-13)3-6-22-8-1-2-9-10(7-8)17-18-12(9)21;20-12-10-3-2-9(8-11(10)17-18-12)21-7-1-4-14-13-15-5-6-16-19-13/h1-5,7,9H,6,8H2,(H,16,17,20)(H2,18,19,21);1-2,4-7,10H,3,8-9H2,(H,16,17)(H2,18,19,20);2-3,6-8H,4-5H2,1H3,(H,16,20)(H2,17,18,21);1-2,4-5,7H,3,6H2,(H2,17,18,21)(H,14,16,19,20);2-3,5-6,8H,1,4,7H2,(H,14,15,19)(H2,17,18,20).

What are the key properties of N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]propanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-pyridin-2-ylpropanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-(1,2,4-triazin-3-yl)propanamide;6-[3-(pyridin-2-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one?

N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]propanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-pyridin-2-ylpropanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-(1,2,4-triazin-3-yl)propanamide;6-[3-(pyridin-2-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one has a molecular weight of 1550.84 g/mol, XLogP of 9.73, 27 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-methylimidazol-4-yl)-3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]propanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-pyridin-2-ylpropanamide;3-[(3-oxo-1,2-dihydroindazol-6-yl)sulfanyl]-N-(1,2,4-triazin-3-yl)propanamide;6-[3-(pyridin-2-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one;6-[3-(1,2,4-triazin-3-ylamino)propylsulfanyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 157420250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).