2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol

C21H24FN3O2 — CID 90412418

IUPAC2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3CCCN(CCO)C3)cc12
InChIInChI=1S/C21H24FN3O2/c1-27-20-5-4-15(22)11-17(20)16-6-7-23-21-18(16)12-19(24-21)14-3-2-8-25(13-14)9-10-26/h4-7,11-12,14,26H,2-3,8-10,13H2,1H3,(H,23,24)
InChIKeyZNNREQBGMVPIDK-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.55
Rot. Bonds5

About 2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol

2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol (PubChem CID 90412418) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol
PubChem CID90412418
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3CCCN(CCO)C3)cc12
InChIInChI=1S/C21H24FN3O2/c1-27-20-5-4-15(22)11-17(20)16-6-7-23-21-18(16)12-19(24-21)14-3-2-8-25(13-14)9-10-26/h4-7,11-12,14,26H,2-3,8-10,13H2,1H3,(H,23,24)
InChIKeyZNNREQBGMVPIDK-UHFFFAOYSA-N
XLogP3.55
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol (CID 90412418) is 2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol is COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCCN(CCO)C3)cc12.
What is the InChIKey of 2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol?
The InChIKey is ZNNREQBGMVPIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-27-20-5-4-15(22)11-17(20)16-6-7-23-21-18(16)12-19(24-21)14-3-2-8-25(13-14)9-10-26/h4-7,11-12,14,26H,2-3,8-10,13H2,1H3,(H,23,24).
What are the key properties of 2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol?
2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol has a molecular weight of 369.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 90412418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).