4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-ol

C20H19FN2O2 — CID 90419935

IUPAC4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-ol
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC(O)CC3)cc12
InChIInChI=1S/C20H19FN2O2/c1-25-19-7-4-13(21)10-16(19)15-8-9-22-20-17(15)11-18(23-20)12-2-5-14(24)6-3-12/h2,4,7-11,14,24H,3,5-6H2,1H3,(H,22,23)
InChIKeyLOZXEELIKZZNPX-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.31
Rot. Bonds3

About 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-ol

4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-ol (PubChem CID 90419935) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-ol.

Molecular Properties

Compound Name4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-ol
PubChem CID90419935
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-ol
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC(O)CC3)cc12
InChIInChI=1S/C20H19FN2O2/c1-25-19-7-4-13(21)10-16(19)15-8-9-22-20-17(15)11-18(23-20)12-2-5-14(24)6-3-12/h2,4,7-11,14,24H,3,5-6H2,1H3,(H,22,23)
InChIKeyLOZXEELIKZZNPX-UHFFFAOYSA-N
XLogP4.31
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-ol?
The IUPAC name of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-ol (CID 90419935) is 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-ol.
What is the SMILES notation for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-ol?
The canonical SMILES for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-ol is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC(O)CC3)cc12.
What is the InChIKey of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-ol?
The InChIKey is LOZXEELIKZZNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-25-19-7-4-13(21)10-16(19)15-8-9-22-20-17(15)11-18(23-20)12-2-5-14(24)6-3-12/h2,4,7-11,14,24H,3,5-6H2,1H3,(H,22,23).
What are the key properties of 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-ol?
4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-ol has a molecular weight of 338.38 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-ol is sourced from PubChem (CID 90419935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).