6-N-[[1-[2-(methylamino)-3,4-dioxocyclobuten-1-yl]indazol-6-yl]methyl]-4-N-[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide

C30H23N9O6 — CID 143272704

About 6-N-[[1-[2-(methylamino)-3,4-dioxocyclobuten-1-yl]indazol-6-yl]methyl]-4-N-[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide

6-N-[[1-[2-(methylamino)-3,4-dioxocyclobuten-1-yl]indazol-6-yl]methyl]-4-N-[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide (PubChem CID 143272704) has the molecular formula C30H23N9O6 and a molecular weight of 605.57 g/mol. Its IUPAC name is 6-N-[[1-[2-(methylamino)-3,4-dioxocyclobuten-1-yl]indazol-6-yl]methyl]-4-N-[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

• Compound Name: 6-N-[[1-[2-(methylamino)-3,4-dioxocyclobuten-1-yl]indazol-6-yl]methyl]-4-N-[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
• PubChem CID: 143272704
• Molecular Formula: C30H23N9O6
• Molecular Weight: 605.57 g/mol
• Exact Mass: 605.18
• IUPAC Name: 6-N-[[1-[2-(methylamino)-3,4-dioxocyclobuten-1-yl]indazol-6-yl]methyl]-4-N-[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
• SMILES: CNc1c(-n2ncc3ccc(CNC(=O)c4cc(C(=O)NC5CCc6cc(-c7noc(=O)[nH]7)ccc65)ncn4)cc32)c(=O)c1=O
• InChI: InChI=1S/C30H23N9O6/c1-31-23-24(26(41)25(23)40)39-22-8-14(2-3-17(22)12-35-39)11-32-28(42)20-10-21(34-13-33-20)29(43)36-19-7-5-15-9-16(4-6-18(15)19)27-37-30(44)45-38-27/h2-4,6,8-10,12-13,19,31H,5,7,11H2,1H3,(H,32,42)(H,36,43)(H,37,38,44)
• InChIKey: WTDAUXGLNFASPY-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 206.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.57
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-N-[[1-[2-(methylamino)-3,4-dioxocyclobuten-1-yl]indazol-6-yl]methyl]-4-N-[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide?

The IUPAC name of 6-N-[[1-[2-(methylamino)-3,4-dioxocyclobuten-1-yl]indazol-6-yl]methyl]-4-N-[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide (CID 143272704) is 6-N-[[1-[2-(methylamino)-3,4-dioxocyclobuten-1-yl]indazol-6-yl]methyl]-4-N-[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide.

What is the SMILES notation for 6-N-[[1-[2-(methylamino)-3,4-dioxocyclobuten-1-yl]indazol-6-yl]methyl]-4-N-[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide?

The canonical SMILES for 6-N-[[1-[2-(methylamino)-3,4-dioxocyclobuten-1-yl]indazol-6-yl]methyl]-4-N-[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide is CNc1c(-n2ncc3ccc(CNC(=O)c4cc(C(=O)NC5CCc6cc(-c7noc(=O)[nH]7)ccc65)ncn4)cc32)c(=O)c1=O.

What is the InChIKey of 6-N-[[1-[2-(methylamino)-3,4-dioxocyclobuten-1-yl]indazol-6-yl]methyl]-4-N-[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide?

The InChIKey is WTDAUXGLNFASPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N9O6/c1-31-23-24(26(41)25(23)40)39-22-8-14(2-3-17(22)12-35-39)11-32-28(42)20-10-21(34-13-33-20)29(43)36-19-7-5-15-9-16(4-6-18(15)19)27-37-30(44)45-38-27/h2-4,6,8-10,12-13,19,31H,5,7,11H2,1H3,(H,32,42)(H,36,43)(H,37,38,44).

What are the key properties of 6-N-[[1-[2-(methylamino)-3,4-dioxocyclobuten-1-yl]indazol-6-yl]methyl]-4-N-[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide?

6-N-[[1-[2-(methylamino)-3,4-dioxocyclobuten-1-yl]indazol-6-yl]methyl]-4-N-[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide has a molecular weight of 605.57 g/mol, XLogP of 1.14, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[[1-[2-(methylamino)-3,4-dioxocyclobuten-1-yl]indazol-6-yl]methyl]-4-N-[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 143272704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).