4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline

C25H26FN3O — CID 67140884

IUPAC4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline
SMILESCOc1ccc(Cn2c(C)c(C)c3ccnc(CN(C)c4ccc(F)cc4)c32)cc1
InChIInChI=1S/C25H26FN3O/c1-17-18(2)29(15-19-5-11-22(30-4)12-6-19)25-23(17)13-14-27-24(25)16-28(3)21-9-7-20(26)8-10-21/h5-14H,15-16H2,1-4H3
InChIKeyJMKULHBZFMBPRA-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.49
Rot. Bonds6

About 4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline

4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline (PubChem CID 67140884) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline
PubChem CID67140884
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC Name4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline
SMILESCOc1ccc(Cn2c(C)c(C)c3ccnc(CN(C)c4ccc(F)cc4)c32)cc1
InChIInChI=1S/C25H26FN3O/c1-17-18(2)29(15-19-5-11-22(30-4)12-6-19)25-23(17)13-14-27-24(25)16-28(3)21-9-7-20(26)8-10-21/h5-14H,15-16H2,1-4H3
InChIKeyJMKULHBZFMBPRA-UHFFFAOYSA-N
XLogP5.49
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline with MolForge

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Related Compounds

7-[(4-chlorophenoxy)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11495715
1-[(4-fluorophenyl)methyl]-2,3-dimethyl-7-[(4-methylphenoxy)methyl]pyrrolo[2,3-c]pyridine;hydrochloride
CID 11509798
N-[(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)methyl]-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide;hydrochloride
CID 142680996
7-(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 67141832
N,1-bis[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride
CID 67141660
1-benzyl-7-[(4-chlorophenoxy)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
CID 11690137
7-(4-fluorophenyl)-2,3-dimethyl-1-(naphthalen-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride
CID 67141663
1-ethyl-N-[(4-fluorophenyl)methyl]-N,2,3-trimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride
CID 67140947
1-[(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)methyl]-1-(4-fluorophenyl)-3-prop-2-enylthiourea;hydrochloride
CID 142681083
N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine
CID 67141556
5-chloro-7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11640443
2-[(4-methoxy-N-methylanilino)methyl]-3,5-dimethylpyridin-4-amine
CID 103182279

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline?
The IUPAC name of 4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline (CID 67140884) is 4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline.
What is the SMILES notation for 4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline?
The canonical SMILES for 4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline is COc1ccc(Cn2c(C)c(C)c3ccnc(CN(C)c4ccc(F)cc4)c32)cc1.
What is the InChIKey of 4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline?
The InChIKey is JMKULHBZFMBPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O/c1-17-18(2)29(15-19-5-11-22(30-4)12-6-19)25-23(17)13-14-27-24(25)16-28(3)21-9-7-20(26)8-10-21/h5-14H,15-16H2,1-4H3.
What are the key properties of 4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline?
4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline has a molecular weight of 403.50 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline is sourced from PubChem (CID 67140884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).