N-[3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-indazol-5-yl]piperidine-1-carboxamide

C26H29N7O2 — CID 136650351

About N-[3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-indazol-5-yl]piperidine-1-carboxamide

N-[3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-indazol-5-yl]piperidine-1-carboxamide (PubChem CID 136650351) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-[3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-indazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-indazol-5-yl]piperidine-1-carboxamide
• PubChem CID: 136650351
• Molecular Formula: C26H29N7O2
• Molecular Weight: 471.57 g/mol
• Exact Mass: 471.24
• IUPAC Name: N-[3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-indazol-5-yl]piperidine-1-carboxamide
• SMILES: CCN1C(=O)C(C)(C)c2cc3[nH]c(-c4n[nH]c5ccc(NC(=O)N6CCCCC6)cc45)nc3cc21
• InChI: InChI=1S/C26H29N7O2/c1-4-33-21-14-20-19(13-17(21)26(2,3)24(33)34)28-23(29-20)22-16-12-15(8-9-18(16)30-31-22)27-25(35)32-10-6-5-7-11-32/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,27,35)(H,28,29)(H,30,31)
• InChIKey: GSHXZAAUDGKMHR-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 110.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.57
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-indazol-5-yl]piperidine-1-carboxamide?

The IUPAC name of N-[3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-indazol-5-yl]piperidine-1-carboxamide (CID 136650351) is N-[3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-indazol-5-yl]piperidine-1-carboxamide.

What is the SMILES notation for N-[3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-indazol-5-yl]piperidine-1-carboxamide?

The canonical SMILES for N-[3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-indazol-5-yl]piperidine-1-carboxamide is CCN1C(=O)C(C)(C)c2cc3[nH]c(-c4n[nH]c5ccc(NC(=O)N6CCCCC6)cc45)nc3cc21.

What is the InChIKey of N-[3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-indazol-5-yl]piperidine-1-carboxamide?

The InChIKey is GSHXZAAUDGKMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-4-33-21-14-20-19(13-17(21)26(2,3)24(33)34)28-23(29-20)22-16-12-15(8-9-18(16)30-31-22)27-25(35)32-10-6-5-7-11-32/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,27,35)(H,28,29)(H,30,31).

What are the key properties of N-[3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-indazol-5-yl]piperidine-1-carboxamide?

N-[3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-indazol-5-yl]piperidine-1-carboxamide has a molecular weight of 471.57 g/mol, XLogP of 4.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-indazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 136650351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).