N-[(4-tert-butylphenyl)methyl]-N-[2-[3-(difluoromethoxy)phenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide

C28H29F2N3O2 — CID 24760562

About N-[(4-tert-butylphenyl)methyl]-N-[2-[3-(difluoromethoxy)phenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide

N-[(4-tert-butylphenyl)methyl]-N-[2-[3-(difluoromethoxy)phenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide (PubChem CID 24760562) has the molecular formula C28H29F2N3O2 and a molecular weight of 477.56 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N-[2-[3-(difluoromethoxy)phenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(4-tert-butylphenyl)methyl]-N-[2-[3-(difluoromethoxy)phenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
• PubChem CID: 24760562
• Molecular Formula: C28H29F2N3O2
• Molecular Weight: 477.56 g/mol
• Exact Mass: 477.22
• IUPAC Name: N-[(4-tert-butylphenyl)methyl]-N-[2-[3-(difluoromethoxy)phenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
• SMILES: CC(C)(C)c1ccc(CN(CCc2cccc(OC(F)F)c2)C(=O)c2nccc3cc[nH]c23)cc1
• InChI: InChI=1S/C28H29F2N3O2/c1-28(2,3)22-9-7-20(8-10-22)18-33(16-13-19-5-4-6-23(17-19)35-27(29)30)26(34)25-24-21(11-14-31-24)12-15-32-25/h4-12,14-15,17,27,31H,13,16,18H2,1-3H3
• InChIKey: HEFHCGZKYYNQQW-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 58.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.56
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-[2-[3-(difluoromethoxy)phenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?

The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-[2-[3-(difluoromethoxy)phenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide (CID 24760562) is N-[(4-tert-butylphenyl)methyl]-N-[2-[3-(difluoromethoxy)phenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide.

What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-N-[2-[3-(difluoromethoxy)phenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?

The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N-[2-[3-(difluoromethoxy)phenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide is CC(C)(C)c1ccc(CN(CCc2cccc(OC(F)F)c2)C(=O)c2nccc3cc[nH]c23)cc1.

What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N-[2-[3-(difluoromethoxy)phenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?

The InChIKey is HEFHCGZKYYNQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N3O2/c1-28(2,3)22-9-7-20(8-10-22)18-33(16-13-19-5-4-6-23(17-19)35-27(29)30)26(34)25-24-21(11-14-31-24)12-15-32-25/h4-12,14-15,17,27,31H,13,16,18H2,1-3H3.

What are the key properties of N-[(4-tert-butylphenyl)methyl]-N-[2-[3-(difluoromethoxy)phenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?

N-[(4-tert-butylphenyl)methyl]-N-[2-[3-(difluoromethoxy)phenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide has a molecular weight of 477.56 g/mol, XLogP of 6.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-tert-butylphenyl)methyl]-N-[2-[3-(difluoromethoxy)phenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 24760562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).