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

C20H24FN3O — CID 67142476

IUPAC4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline
SMILESCOCCn1c(C)c(C)c2ccnc(CN(C)c3ccc(F)cc3)c21
InChIInChI=1S/C20H24FN3O/c1-14-15(2)24(11-12-25-4)20-18(14)9-10-22-19(20)13-23(3)17-7-5-16(21)6-8-17/h5-10H,11-13H2,1-4H3
InChIKeyVAMBUWXNXXREMZ-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.08
Rot. Bonds6

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

4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline (PubChem CID 67142476) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline
PubChem CID67142476
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline
SMILESCOCCn1c(C)c(C)c2ccnc(CN(C)c3ccc(F)cc3)c21
InChIInChI=1S/C20H24FN3O/c1-14-15(2)24(11-12-25-4)20-18(14)9-10-22-19(20)13-23(3)17-7-5-16(21)6-8-17/h5-10H,11-13H2,1-4H3
InChIKeyVAMBUWXNXXREMZ-UHFFFAOYSA-N
XLogP4.08
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

CID 3065056
CID 3065056
CID 11012564
CID 11012564
CID 11809327
CID 11809327
CID 11822822
CID 11822822
CID 639591
CID 639591
CID 23647183
CID 23647183
CID 23647184
CID 23647184
CID 23647185
CID 23647185
CID 56652458
CID 56652458
CID 56652775
CID 56652775
CID 14221745
CID 14221745
CID 56652776
CID 56652776

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline?
The IUPAC name of 4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline (CID 67142476) is 4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline.
What is the SMILES notation for 4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline?
The canonical SMILES for 4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline is COCCn1c(C)c(C)c2ccnc(CN(C)c3ccc(F)cc3)c21.
What is the InChIKey of 4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline?
The InChIKey is VAMBUWXNXXREMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-14-15(2)24(11-12-25-4)20-18(14)9-10-22-19(20)13-23(3)17-7-5-16(21)6-8-17/h5-10H,11-13H2,1-4H3.
What are the key properties of 4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline?
4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline has a molecular weight of 341.43 g/mol, XLogP of 4.08, 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-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline is sourced from PubChem (CID 67142476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).