4-(4-fluoro-2-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine

C20H22FN3O — CID 90412915

IUPAC4-(4-fluoro-2-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(F)ccc1-c1ccnc2[nH]c(C3CCN(C)CC3)cc12
InChIInChI=1S/C20H22FN3O/c1-24-9-6-13(7-10-24)18-12-17-15(5-8-22-20(17)23-18)16-4-3-14(21)11-19(16)25-2/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,22,23)
InChIKeyMYGCBFRVFDUTBD-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.19
Rot. Bonds3

About 4-(4-fluoro-2-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine

4-(4-fluoro-2-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90412915) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 4-(4-fluoro-2-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(4-fluoro-2-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID90412915
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name4-(4-fluoro-2-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(F)ccc1-c1ccnc2[nH]c(C3CCN(C)CC3)cc12
InChIInChI=1S/C20H22FN3O/c1-24-9-6-13(7-10-24)18-12-17-15(5-8-22-20(17)23-18)16-4-3-14(21)11-19(16)25-2/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,22,23)
InChIKeyMYGCBFRVFDUTBD-UHFFFAOYSA-N
XLogP4.19
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(4-fluoro-2-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 90412915) is 4-(4-fluoro-2-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(4-fluoro-2-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(4-fluoro-2-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine is COc1cc(F)ccc1-c1ccnc2[nH]c(C3CCN(C)CC3)cc12.
What is the InChIKey of 4-(4-fluoro-2-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MYGCBFRVFDUTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-24-9-6-13(7-10-24)18-12-17-15(5-8-22-20(17)23-18)16-4-3-14(21)11-19(16)25-2/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,22,23).
What are the key properties of 4-(4-fluoro-2-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(4-fluoro-2-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 339.41 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90412915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).