N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-1-pyridin-4-ylindazole-5-carboxamide

C₃₂H₃₉N₇O₂Si — CID 156794321

About N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-1-pyridin-4-ylindazole-5-carboxamide

N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-1-pyridin-4-ylindazole-5-carboxamide (PubChem CID 156794321) has the molecular formula C₃₂H₃₉N₇O₂Si and a molecular weight of 581.80 g/mol. Its IUPAC name is N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-1-pyridin-4-ylindazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-1-pyridin-4-ylindazole-5-carboxamide
• PubChem CID: 156794321
• Molecular Formula: C₃₂H₃₉N₇O₂Si
• Molecular Weight: 581.80 g/mol
• Exact Mass: 581.29
• IUPAC Name: N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-1-pyridin-4-ylindazole-5-carboxamide
• SMILES: C[C@H]1CCCN1Cc1cc2cnc(NC(=O)c3ccc4c(cnn4-c4ccncc4)c3)cc2n1COCC[Si](C)(C)C
• InChI: InChI=1S/C32H39N7O2Si/c1-23-6-5-13-37(23)21-28-17-26-19-34-31(18-30(26)38(28)22-41-14-15-42(2,3)4)36-32(40)24-7-8-29-25(16-24)20-35-39(29)27-9-11-33-12-10-27/h7-12,16-20,23H,5-6,13-15,21-22H2,1-4H3,(H,34,36,40)/t23-/m0/s1
• InChIKey: CVHNFSFOXYIGMB-QHCPKHFHSA-N
• XLogP: 6.32
• TPSA: 90.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.80
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-1-pyridin-4-ylindazole-5-carboxamide?

The IUPAC name of N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-1-pyridin-4-ylindazole-5-carboxamide (CID 156794321) is N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-1-pyridin-4-ylindazole-5-carboxamide.

What is the SMILES notation for N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-1-pyridin-4-ylindazole-5-carboxamide?

The canonical SMILES for N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-1-pyridin-4-ylindazole-5-carboxamide is C[C@H]1CCCN1Cc1cc2cnc(NC(=O)c3ccc4c(cnn4-c4ccncc4)c3)cc2n1COCC[Si](C)(C)C.

What is the InChIKey of N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-1-pyridin-4-ylindazole-5-carboxamide?

The InChIKey is CVHNFSFOXYIGMB-QHCPKHFHSA-N. The full InChI is InChI=1S/C32H39N7O2Si/c1-23-6-5-13-37(23)21-28-17-26-19-34-31(18-30(26)38(28)22-41-14-15-42(2,3)4)36-32(40)24-7-8-29-25(16-24)20-35-39(29)27-9-11-33-12-10-27/h7-12,16-20,23H,5-6,13-15,21-22H2,1-4H3,(H,34,36,40)/t23-/m0/s1.

What are the key properties of N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-1-pyridin-4-ylindazole-5-carboxamide?

N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-1-pyridin-4-ylindazole-5-carboxamide has a molecular weight of 581.80 g/mol, XLogP of 6.32, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-1-pyridin-4-ylindazole-5-carboxamide is sourced from PubChem (CID 156794321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156794321 — identifiers, structure, computed properties (public domain)

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