3-(3,5-difluorophenyl)-5-methyl-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine

C21H23F2N3O — CID 146333363

IUPAC3-(3,5-difluorophenyl)-5-methyl-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnc2[nH]cc(-c3cc(F)cc(F)c3)c2c1OCC1(C)CCNCC1
InChIInChI=1S/C21H23F2N3O/c1-13-10-25-20-18(19(13)27-12-21(2)3-5-24-6-4-21)17(11-26-20)14-7-15(22)9-16(23)8-14/h7-11,24H,3-6,12H2,1-2H3,(H,25,26)
InChIKeySONUMKJIHYEZQL-UHFFFAOYSA-N
MW371.43 g/mol
LogP4.59
Rot. Bonds4

About 3-(3,5-difluorophenyl)-5-methyl-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine

3-(3,5-difluorophenyl)-5-methyl-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 146333363) has the molecular formula C21H23F2N3O and a molecular weight of 371.43 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-5-methyl-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-5-methyl-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
PubChem CID146333363
Molecular FormulaC21H23F2N3O
Molecular Weight371.43 g/mol
Exact Mass371.18
IUPAC Name3-(3,5-difluorophenyl)-5-methyl-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnc2[nH]cc(-c3cc(F)cc(F)c3)c2c1OCC1(C)CCNCC1
InChIInChI=1S/C21H23F2N3O/c1-13-10-25-20-18(19(13)27-12-21(2)3-5-24-6-4-21)17(11-26-20)14-7-15(22)9-16(23)8-14/h7-11,24H,3-6,12H2,1-2H3,(H,25,26)
InChIKeySONUMKJIHYEZQL-UHFFFAOYSA-N
XLogP4.59
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-5-methyl-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(3,5-difluorophenyl)-5-methyl-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine (CID 146333363) is 3-(3,5-difluorophenyl)-5-methyl-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-5-methyl-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(3,5-difluorophenyl)-5-methyl-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine is Cc1cnc2[nH]cc(-c3cc(F)cc(F)c3)c2c1OCC1(C)CCNCC1.
What is the InChIKey of 3-(3,5-difluorophenyl)-5-methyl-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SONUMKJIHYEZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O/c1-13-10-25-20-18(19(13)27-12-21(2)3-5-24-6-4-21)17(11-26-20)14-7-15(22)9-16(23)8-14/h7-11,24H,3-6,12H2,1-2H3,(H,25,26).
What are the key properties of 3-(3,5-difluorophenyl)-5-methyl-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
3-(3,5-difluorophenyl)-5-methyl-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 371.43 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-5-methyl-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 146333363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).