3-(3-fluoro-5-propan-2-yloxyphenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine

C23H28FN3O2 — CID 146333366

IUPAC3-(3-fluoro-5-propan-2-yloxyphenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)Oc1cc(F)cc(-c2c[nH]c3nccc(OCC4(C)CCNCC4)c23)c1
InChIInChI=1S/C23H28FN3O2/c1-15(2)29-18-11-16(10-17(24)12-18)19-13-27-22-21(19)20(4-7-26-22)28-14-23(3)5-8-25-9-6-23/h4,7,10-13,15,25H,5-6,8-9,14H2,1-3H3,(H,26,27)
InChIKeyGTVDPOMJBZSKDR-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.92
Rot. Bonds6

About 3-(3-fluoro-5-propan-2-yloxyphenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine

3-(3-fluoro-5-propan-2-yloxyphenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 146333366) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 3-(3-fluoro-5-propan-2-yloxyphenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(3-fluoro-5-propan-2-yloxyphenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
PubChem CID146333366
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name3-(3-fluoro-5-propan-2-yloxyphenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)Oc1cc(F)cc(-c2c[nH]c3nccc(OCC4(C)CCNCC4)c23)c1
InChIInChI=1S/C23H28FN3O2/c1-15(2)29-18-11-16(10-17(24)12-18)19-13-27-22-21(19)20(4-7-26-22)28-14-23(3)5-8-25-9-6-23/h4,7,10-13,15,25H,5-6,8-9,14H2,1-3H3,(H,26,27)
InChIKeyGTVDPOMJBZSKDR-UHFFFAOYSA-N
XLogP4.92
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-propan-2-yloxyphenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(3-fluoro-5-propan-2-yloxyphenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine (CID 146333366) is 3-(3-fluoro-5-propan-2-yloxyphenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(3-fluoro-5-propan-2-yloxyphenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(3-fluoro-5-propan-2-yloxyphenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine is CC(C)Oc1cc(F)cc(-c2c[nH]c3nccc(OCC4(C)CCNCC4)c23)c1.
What is the InChIKey of 3-(3-fluoro-5-propan-2-yloxyphenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GTVDPOMJBZSKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-15(2)29-18-11-16(10-17(24)12-18)19-13-27-22-21(19)20(4-7-26-22)28-14-23(3)5-8-25-9-6-23/h4,7,10-13,15,25H,5-6,8-9,14H2,1-3H3,(H,26,27).
What are the key properties of 3-(3-fluoro-5-propan-2-yloxyphenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
3-(3-fluoro-5-propan-2-yloxyphenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 397.49 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-propan-2-yloxyphenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 146333366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).