1-benzyl-7-[(4-fluorophenyl)methoxy]-N,N,2,3-tetramethylpyrrolo[2,3-c]pyridine-5-carboxamide

C26H26FN3O2 — CID 46934727

IUPAC1-benzyl-7-[(4-fluorophenyl)methoxy]-N,N,2,3-tetramethylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCc1c(C)n(Cc2ccccc2)c2c(OCc3ccc(F)cc3)nc(C(=O)N(C)C)cc12
InChIInChI=1S/C26H26FN3O2/c1-17-18(2)30(15-19-8-6-5-7-9-19)24-22(17)14-23(26(31)29(3)4)28-25(24)32-16-20-10-12-21(27)13-11-20/h5-14H,15-16H2,1-4H3
InChIKeyQZANCBSHYXEOJS-UHFFFAOYSA-N
MW431.51 g/mol
LogP5.12
Rot. Bonds6

About 1-benzyl-7-[(4-fluorophenyl)methoxy]-N,N,2,3-tetramethylpyrrolo[2,3-c]pyridine-5-carboxamide

1-benzyl-7-[(4-fluorophenyl)methoxy]-N,N,2,3-tetramethylpyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 46934727) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is 1-benzyl-7-[(4-fluorophenyl)methoxy]-N,N,2,3-tetramethylpyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-7-[(4-fluorophenyl)methoxy]-N,N,2,3-tetramethylpyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID46934727
Molecular FormulaC26H26FN3O2
Molecular Weight431.51 g/mol
Exact Mass431.20
IUPAC Name1-benzyl-7-[(4-fluorophenyl)methoxy]-N,N,2,3-tetramethylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCc1c(C)n(Cc2ccccc2)c2c(OCc3ccc(F)cc3)nc(C(=O)N(C)C)cc12
InChIInChI=1S/C26H26FN3O2/c1-17-18(2)30(15-19-8-6-5-7-9-19)24-22(17)14-23(26(31)29(3)4)28-25(24)32-16-20-10-12-21(27)13-11-20/h5-14H,15-16H2,1-4H3
InChIKeyQZANCBSHYXEOJS-UHFFFAOYSA-N
XLogP5.12
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.51
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-[(4-fluorophenyl)methoxy]-N,N,2,3-tetramethylpyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-7-[(4-fluorophenyl)methoxy]-N,N,2,3-tetramethylpyrrolo[2,3-c]pyridine-5-carboxamide (CID 46934727) is 1-benzyl-7-[(4-fluorophenyl)methoxy]-N,N,2,3-tetramethylpyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-7-[(4-fluorophenyl)methoxy]-N,N,2,3-tetramethylpyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-7-[(4-fluorophenyl)methoxy]-N,N,2,3-tetramethylpyrrolo[2,3-c]pyridine-5-carboxamide is Cc1c(C)n(Cc2ccccc2)c2c(OCc3ccc(F)cc3)nc(C(=O)N(C)C)cc12.
What is the InChIKey of 1-benzyl-7-[(4-fluorophenyl)methoxy]-N,N,2,3-tetramethylpyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is QZANCBSHYXEOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O2/c1-17-18(2)30(15-19-8-6-5-7-9-19)24-22(17)14-23(26(31)29(3)4)28-25(24)32-16-20-10-12-21(27)13-11-20/h5-14H,15-16H2,1-4H3.
What are the key properties of 1-benzyl-7-[(4-fluorophenyl)methoxy]-N,N,2,3-tetramethylpyrrolo[2,3-c]pyridine-5-carboxamide?
1-benzyl-7-[(4-fluorophenyl)methoxy]-N,N,2,3-tetramethylpyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 431.51 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-[(4-fluorophenyl)methoxy]-N,N,2,3-tetramethylpyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 46934727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).