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

C17H16FN3O2 — CID 90419929

IUPAC3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]azetidin-3-ol
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3(O)CNC3)cc12
InChIInChI=1S/C17H16FN3O2/c1-23-14-3-2-10(18)6-12(14)11-4-5-20-16-13(11)7-15(21-16)17(22)8-19-9-17/h2-7,19,22H,8-9H2,1H3,(H,20,21)
InChIKeyWVQBLDJFOLMMTR-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.17
Rot. Bonds3

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

3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]azetidin-3-ol (PubChem CID 90419929) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]azetidin-3-ol.

Molecular Properties

Compound Name3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]azetidin-3-ol
PubChem CID90419929
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]azetidin-3-ol
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3(O)CNC3)cc12
InChIInChI=1S/C17H16FN3O2/c1-23-14-3-2-10(18)6-12(14)11-4-5-20-16-13(11)7-15(21-16)17(22)8-19-9-17/h2-7,19,22H,8-9H2,1H3,(H,20,21)
InChIKeyWVQBLDJFOLMMTR-UHFFFAOYSA-N
XLogP2.17
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]azetidin-3-ol?
The IUPAC name of 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]azetidin-3-ol (CID 90419929) is 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]azetidin-3-ol.
What is the SMILES notation for 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]azetidin-3-ol?
The canonical SMILES for 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]azetidin-3-ol is COc1ccc(F)cc1-c1ccnc2[nH]c(C3(O)CNC3)cc12.
What is the InChIKey of 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]azetidin-3-ol?
The InChIKey is WVQBLDJFOLMMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-23-14-3-2-10(18)6-12(14)11-4-5-20-16-13(11)7-15(21-16)17(22)8-19-9-17/h2-7,19,22H,8-9H2,1H3,(H,20,21).
What are the key properties of 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]azetidin-3-ol?
3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]azetidin-3-ol has a molecular weight of 313.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]azetidin-3-ol is sourced from PubChem (CID 90419929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).