methyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate

C21H16FN3O2 — CID 25101812

IUPACmethyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate
SMILESCOC(=O)Cn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C21H16FN3O2/c1-27-18(26)13-25-17-3-2-10-24-20(17)19(14-4-6-16(22)7-5-14)21(25)15-8-11-23-12-9-15/h2-12H,13H2,1H3
InChIKeyGTCVTBIUQMKYQV-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.08
Rot. Bonds4

About methyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate

methyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate (PubChem CID 25101812) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is methyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate
PubChem CID25101812
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Namemethyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate
SMILESCOC(=O)Cn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C21H16FN3O2/c1-27-18(26)13-25-17-3-2-10-24-20(17)19(14-4-6-16(22)7-5-14)21(25)15-8-11-23-12-9-15/h2-12H,13H2,1H3
InChIKeyGTCVTBIUQMKYQV-UHFFFAOYSA-N
XLogP4.08
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine
CID 25101367
3-(4-fluorophenyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine
CID 11014525
1-ethenyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
CID 25100450
4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride
CID 56946930
3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine
CID 23647186
3-(3-fluorophenyl)-1-methyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
CID 25101059
3-(4-fluorophenyl)-5-methyl-1-prop-2-ynyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
CID 25101816
7-(4-fluorophenyl)-5-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine
CID 67240962
3-(4-fluorophenyl)-1-hydroxy-2-pyridin-2-ylpyrrolo[3,2-b]pyridine
CID 90930401
methyl 2-[3-[(4-fluoro-2-methylsulfanylphenyl)methylcarbamoyl]-4-hydroxy-2-oxo-1,5-naphthyridin-1-yl]acetate
CID 58978000
methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate
CID 60789228
2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid
CID 174281142

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate?
The IUPAC name of methyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate (CID 25101812) is methyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate is COC(=O)Cn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21.
What is the InChIKey of methyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate?
The InChIKey is GTCVTBIUQMKYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c1-27-18(26)13-25-17-3-2-10-24-20(17)19(14-4-6-16(22)7-5-14)21(25)15-8-11-23-12-9-15/h2-12H,13H2,1H3.
What are the key properties of methyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate?
methyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate has a molecular weight of 361.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate is sourced from PubChem (CID 25101812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).