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

C19H22FN3O — CID 11595708

IUPAC4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]aniline
SMILESCOCCn1c(C)c(C)c2ccnc(CNc3ccc(F)cc3)c21
InChIInChI=1S/C19H22FN3O/c1-13-14(2)23(10-11-24-3)19-17(13)8-9-21-18(19)12-22-16-6-4-15(20)5-7-16/h4-9,22H,10-12H2,1-3H3
InChIKeyVLMBALMYGUNFRD-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.05
Rot. Bonds6

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

4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]aniline (PubChem CID 11595708) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]aniline
PubChem CID11595708
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]aniline
SMILESCOCCn1c(C)c(C)c2ccnc(CNc3ccc(F)cc3)c21
InChIInChI=1S/C19H22FN3O/c1-13-14(2)23(10-11-24-3)19-17(13)8-9-21-18(19)12-22-16-6-4-15(20)5-7-16/h4-9,22H,10-12H2,1-3H3
InChIKeyVLMBALMYGUNFRD-UHFFFAOYSA-N
XLogP4.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]aniline?
The IUPAC name of 4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]aniline (CID 11595708) is 4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]aniline?
The canonical SMILES for 4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]aniline is COCCn1c(C)c(C)c2ccnc(CNc3ccc(F)cc3)c21.
What is the InChIKey of 4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]aniline?
The InChIKey is VLMBALMYGUNFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-13-14(2)23(10-11-24-3)19-17(13)8-9-21-18(19)12-22-16-6-4-15(20)5-7-16/h4-9,22H,10-12H2,1-3H3.
What are the key properties of 4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]aniline?
4-fluoro-N-[[1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]aniline has a molecular weight of 327.40 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 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]aniline is sourced from PubChem (CID 11595708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).