6-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]prop-2-ynoxy]-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide

C35H35N7O5 — CID 178056004

About 6-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]prop-2-ynoxy]-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide

6-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]prop-2-ynoxy]-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide (PubChem CID 178056004) has the molecular formula C35H35N7O5 and a molecular weight of 633.71 g/mol. Its IUPAC name is 6-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]prop-2-ynoxy]-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]prop-2-ynoxy]-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide
• PubChem CID: 178056004
• Molecular Formula: C35H35N7O5
• Molecular Weight: 633.71 g/mol
• Exact Mass: 633.27
• IUPAC Name: 6-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]prop-2-ynoxy]-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide
• SMILES: CN(Cc1c(C#CCOc2ccc(C(=O)Nc3cc4[nH]c(C5CCCN5C)cc4cn3)cn2)cccc1C=O)C1CCC(=O)NC1=O
• InChI: InChI=1S/C35H35N7O5/c1-41-14-4-9-29(41)28-16-25-19-36-31(17-27(25)38-28)39-34(45)23-10-13-33(37-18-23)47-15-5-8-22-6-3-7-24(21-43)26(22)20-42(2)30-11-12-32(44)40-35(30)46/h3,6-7,10,13,16-19,21,29-30,38H,4,9,11-12,14-15,20H2,1-2H3,(H,36,39,45)(H,40,44,46)
• InChIKey: BSOPMXYBDXTTQC-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 149.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	633.71
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]prop-2-ynoxy]-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide?

The IUPAC name of 6-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]prop-2-ynoxy]-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide (CID 178056004) is 6-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]prop-2-ynoxy]-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]prop-2-ynoxy]-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]prop-2-ynoxy]-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide is CN(Cc1c(C#CCOc2ccc(C(=O)Nc3cc4[nH]c(C5CCCN5C)cc4cn3)cn2)cccc1C=O)C1CCC(=O)NC1=O.

What is the InChIKey of 6-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]prop-2-ynoxy]-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide?

The InChIKey is BSOPMXYBDXTTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N7O5/c1-41-14-4-9-29(41)28-16-25-19-36-31(17-27(25)38-28)39-34(45)23-10-13-33(37-18-23)47-15-5-8-22-6-3-7-24(21-43)26(22)20-42(2)30-11-12-32(44)40-35(30)46/h3,6-7,10,13,16-19,21,29-30,38H,4,9,11-12,14-15,20H2,1-2H3,(H,36,39,45)(H,40,44,46).

What are the key properties of 6-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]prop-2-ynoxy]-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide?

6-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]prop-2-ynoxy]-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide has a molecular weight of 633.71 g/mol, XLogP of 3.46, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]prop-2-ynoxy]-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 178056004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).