4-amino-N-cyclopropyl-1,7-dimethyl-N-[[5-(3-methyl-3-trimethylsilyloxybut-1-ynyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide

C30H36N6O2Si — CID 170694846

About 4-amino-N-cyclopropyl-1,7-dimethyl-N-[[5-(3-methyl-3-trimethylsilyloxybut-1-ynyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-N-cyclopropyl-1,7-dimethyl-N-[[5-(3-methyl-3-trimethylsilyloxybut-1-ynyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 170694846) has the molecular formula C30H36N6O2Si and a molecular weight of 540.74 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-1,7-dimethyl-N-[[5-(3-methyl-3-trimethylsilyloxybut-1-ynyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N-cyclopropyl-1,7-dimethyl-N-[[5-(3-methyl-3-trimethylsilyloxybut-1-ynyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
• PubChem CID: 170694846
• Molecular Formula: C30H36N6O2Si
• Molecular Weight: 540.74 g/mol
• Exact Mass: 540.27
• IUPAC Name: 4-amino-N-cyclopropyl-1,7-dimethyl-N-[[5-(3-methyl-3-trimethylsilyloxybut-1-ynyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
• SMILES: Cc1cc2nc(N)c3cnn(C)c3c2cc1C(=O)N(Cc1ccc(C#CC(C)(C)O[Si](C)(C)C)cn1)C1CC1
• InChI: InChI=1S/C30H36N6O2Si/c1-19-14-26-24(27-25(28(31)34-26)17-33-35(27)4)15-23(19)29(37)36(22-10-11-22)18-21-9-8-20(16-32-21)12-13-30(2,3)38-39(5,6)7/h8-9,14-17,22H,10-11,18H2,1-7H3,(H2,31,34)
• InChIKey: VWWIBAWFEVAARN-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 99.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.74
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-1,7-dimethyl-N-[[5-(3-methyl-3-trimethylsilyloxybut-1-ynyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?

The IUPAC name of 4-amino-N-cyclopropyl-1,7-dimethyl-N-[[5-(3-methyl-3-trimethylsilyloxybut-1-ynyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (CID 170694846) is 4-amino-N-cyclopropyl-1,7-dimethyl-N-[[5-(3-methyl-3-trimethylsilyloxybut-1-ynyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide.

What is the SMILES notation for 4-amino-N-cyclopropyl-1,7-dimethyl-N-[[5-(3-methyl-3-trimethylsilyloxybut-1-ynyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?

The canonical SMILES for 4-amino-N-cyclopropyl-1,7-dimethyl-N-[[5-(3-methyl-3-trimethylsilyloxybut-1-ynyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is Cc1cc2nc(N)c3cnn(C)c3c2cc1C(=O)N(Cc1ccc(C#CC(C)(C)O[Si](C)(C)C)cn1)C1CC1.

What is the InChIKey of 4-amino-N-cyclopropyl-1,7-dimethyl-N-[[5-(3-methyl-3-trimethylsilyloxybut-1-ynyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?

The InChIKey is VWWIBAWFEVAARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O2Si/c1-19-14-26-24(27-25(28(31)34-26)17-33-35(27)4)15-23(19)29(37)36(22-10-11-22)18-21-9-8-20(16-32-21)12-13-30(2,3)38-39(5,6)7/h8-9,14-17,22H,10-11,18H2,1-7H3,(H2,31,34).

What are the key properties of 4-amino-N-cyclopropyl-1,7-dimethyl-N-[[5-(3-methyl-3-trimethylsilyloxybut-1-ynyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?

4-amino-N-cyclopropyl-1,7-dimethyl-N-[[5-(3-methyl-3-trimethylsilyloxybut-1-ynyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 540.74 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-cyclopropyl-1,7-dimethyl-N-[[5-(3-methyl-3-trimethylsilyloxybut-1-ynyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 170694846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).