5-benzyl-1-[(4-methoxyphenyl)methyl]-2,7-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine

C24H28N2O — CID 21498284

IUPAC5-benzyl-1-[(4-methoxyphenyl)methyl]-2,7-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
SMILESCOc1ccc(Cn2c(C)cc3c2C(C)CN(Cc2ccccc2)C3)cc1
InChIInChI=1S/C24H28N2O/c1-18-14-25(15-20-7-5-4-6-8-20)17-22-13-19(2)26(24(18)22)16-21-9-11-23(27-3)12-10-21/h4-13,18H,14-17H2,1-3H3
InChIKeyATAQMFNIAXOJCA-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.97
Rot. Bonds5

About 5-benzyl-1-[(4-methoxyphenyl)methyl]-2,7-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine

5-benzyl-1-[(4-methoxyphenyl)methyl]-2,7-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine (PubChem CID 21498284) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 5-benzyl-1-[(4-methoxyphenyl)methyl]-2,7-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name5-benzyl-1-[(4-methoxyphenyl)methyl]-2,7-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
PubChem CID21498284
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name5-benzyl-1-[(4-methoxyphenyl)methyl]-2,7-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
SMILESCOc1ccc(Cn2c(C)cc3c2C(C)CN(Cc2ccccc2)C3)cc1
InChIInChI=1S/C24H28N2O/c1-18-14-25(15-20-7-5-4-6-8-20)17-22-13-19(2)26(24(18)22)16-21-9-11-23(27-3)12-10-21/h4-13,18H,14-17H2,1-3H3
InChIKeyATAQMFNIAXOJCA-UHFFFAOYSA-N
XLogP4.97
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-[(4-methoxyphenyl)methyl]-2,7-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 5-benzyl-1-[(4-methoxyphenyl)methyl]-2,7-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine (CID 21498284) is 5-benzyl-1-[(4-methoxyphenyl)methyl]-2,7-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 5-benzyl-1-[(4-methoxyphenyl)methyl]-2,7-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 5-benzyl-1-[(4-methoxyphenyl)methyl]-2,7-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine is COc1ccc(Cn2c(C)cc3c2C(C)CN(Cc2ccccc2)C3)cc1.
What is the InChIKey of 5-benzyl-1-[(4-methoxyphenyl)methyl]-2,7-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The InChIKey is ATAQMFNIAXOJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-18-14-25(15-20-7-5-4-6-8-20)17-22-13-19(2)26(24(18)22)16-21-9-11-23(27-3)12-10-21/h4-13,18H,14-17H2,1-3H3.
What are the key properties of 5-benzyl-1-[(4-methoxyphenyl)methyl]-2,7-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
5-benzyl-1-[(4-methoxyphenyl)methyl]-2,7-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine has a molecular weight of 360.50 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-[(4-methoxyphenyl)methyl]-2,7-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 21498284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).