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

C20H22FN3O2 — CID 90412225

IUPAC2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-1-yl]ethanol
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(CCO)C3)cc12
InChIInChI=1S/C20H22FN3O2/c1-26-19-3-2-14(21)10-16(19)15-4-6-22-20-17(15)11-18(23-20)13-5-7-24(12-13)8-9-25/h2-4,6,10-11,13,25H,5,7-9,12H2,1H3,(H,22,23)
InChIKeyLPTSBLOXQQIUCP-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.16
Rot. Bonds5

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

2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-1-yl]ethanol (PubChem CID 90412225) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-1-yl]ethanol
PubChem CID90412225
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-1-yl]ethanol
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(CCO)C3)cc12
InChIInChI=1S/C20H22FN3O2/c1-26-19-3-2-14(21)10-16(19)15-4-6-22-20-17(15)11-18(23-20)13-5-7-24(12-13)8-9-25/h2-4,6,10-11,13,25H,5,7-9,12H2,1H3,(H,22,23)
InChIKeyLPTSBLOXQQIUCP-UHFFFAOYSA-N
XLogP3.16
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.16
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]pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-1-yl]ethanol (CID 90412225) is 2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-1-yl]ethanol is COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(CCO)C3)cc12.
What is the InChIKey of 2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-1-yl]ethanol?
The InChIKey is LPTSBLOXQQIUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-26-19-3-2-14(21)10-16(19)15-4-6-22-20-17(15)11-18(23-20)13-5-7-24(12-13)8-9-25/h2-4,6,10-11,13,25H,5,7-9,12H2,1H3,(H,22,23).
What are the key properties of 2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-1-yl]ethanol?
2-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-1-yl]ethanol has a molecular weight of 355.41 g/mol, XLogP of 3.16, 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]pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 90412225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).