N-[5-[6-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C30H40N8O3Si — CID 178122938

About N-[5-[6-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[5-[6-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 178122938) has the molecular formula C30H40N8O3Si and a molecular weight of 588.79 g/mol. Its IUPAC name is N-[5-[6-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[6-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• PubChem CID: 178122938
• Molecular Formula: C30H40N8O3Si
• Molecular Weight: 588.79 g/mol
• Exact Mass: 588.30
• IUPAC Name: N-[5-[6-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• SMILES: C[C@H]1CN(c2ccc3nc(-c4cn(COCC[Si](C)(C)C)c(=O)c5cnc(NC(=O)C6CC6)cc45)nn3c2)CCN1C
• InChI: InChI=1S/C30H40N8O3Si/c1-20-16-36(11-10-35(20)2)22-8-9-27-33-28(34-38(27)17-22)25-18-37(19-41-12-13-42(3,4)5)30(40)24-15-31-26(14-23(24)25)32-29(39)21-6-7-21/h8-9,14-15,17-18,20-21H,6-7,10-13,16,19H2,1-5H3,(H,31,32,39)/t20-/m0/s1
• InChIKey: XCVQJJBGORTLOT-FQEVSTJZSA-N
• XLogP: 3.91
• TPSA: 109.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.79
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[6-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 178122938) is N-[5-[6-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[6-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[6-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is C[C@H]1CN(c2ccc3nc(-c4cn(COCC[Si](C)(C)C)c(=O)c5cnc(NC(=O)C6CC6)cc45)nn3c2)CCN1C.

What is the InChIKey of N-[5-[6-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The InChIKey is XCVQJJBGORTLOT-FQEVSTJZSA-N. The full InChI is InChI=1S/C30H40N8O3Si/c1-20-16-36(11-10-35(20)2)22-8-9-27-33-28(34-38(27)17-22)25-18-37(19-41-12-13-42(3,4)5)30(40)24-15-31-26(14-23(24)25)32-29(39)21-6-7-21/h8-9,14-15,17-18,20-21H,6-7,10-13,16,19H2,1-5H3,(H,31,32,39)/t20-/m0/s1.

What are the key properties of N-[5-[6-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

N-[5-[6-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 588.79 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[6-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 178122938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).