1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(2-phenylethyl)pyrrolo[2,3-c]pyridine

C24H22Cl2N2 — CID 67142155

IUPAC1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(2-phenylethyl)pyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2c(CCc3ccccc3)nccc12
InChIInChI=1S/C24H22Cl2N2/c1-16-17(2)28(15-19-8-10-21(25)22(26)14-19)24-20(16)12-13-27-23(24)11-9-18-6-4-3-5-7-18/h3-8,10,12-14H,9,11,15H2,1-2H3
InChIKeyYGFQGLWNASGIMO-UHFFFAOYSA-N
MW409.36 g/mol
LogP6.79
Rot. Bonds5

About 1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(2-phenylethyl)pyrrolo[2,3-c]pyridine

1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(2-phenylethyl)pyrrolo[2,3-c]pyridine (PubChem CID 67142155) has the molecular formula C24H22Cl2N2 and a molecular weight of 409.36 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(2-phenylethyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(2-phenylethyl)pyrrolo[2,3-c]pyridine
PubChem CID67142155
Molecular FormulaC24H22Cl2N2
Molecular Weight409.36 g/mol
Exact Mass408.12
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(2-phenylethyl)pyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2c(CCc3ccccc3)nccc12
InChIInChI=1S/C24H22Cl2N2/c1-16-17(2)28(15-19-8-10-21(25)22(26)14-19)24-20(16)12-13-27-23(24)11-9-18-6-4-3-5-7-18/h3-8,10,12-14H,9,11,15H2,1-2H3
InChIKeyYGFQGLWNASGIMO-UHFFFAOYSA-N
XLogP6.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.36
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(2-phenylethyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(2-phenylethyl)pyrrolo[2,3-c]pyridine (CID 67142155) is 1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(2-phenylethyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(2-phenylethyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(2-phenylethyl)pyrrolo[2,3-c]pyridine is Cc1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2c(CCc3ccccc3)nccc12.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(2-phenylethyl)pyrrolo[2,3-c]pyridine?
The InChIKey is YGFQGLWNASGIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2/c1-16-17(2)28(15-19-8-10-21(25)22(26)14-19)24-20(16)12-13-27-23(24)11-9-18-6-4-3-5-7-18/h3-8,10,12-14H,9,11,15H2,1-2H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(2-phenylethyl)pyrrolo[2,3-c]pyridine?
1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(2-phenylethyl)pyrrolo[2,3-c]pyridine has a molecular weight of 409.36 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(2-phenylethyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67142155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).