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

C18H18FN3O2 — CID 90420697

IUPAC3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-3-ol
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3(O)CCNC3)cc12
InChIInChI=1S/C18H18FN3O2/c1-24-15-3-2-11(19)8-13(15)12-4-6-21-17-14(12)9-16(22-17)18(23)5-7-20-10-18/h2-4,6,8-9,20,23H,5,7,10H2,1H3,(H,21,22)
InChIKeyAOKTYMVIAFHQCO-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.56
Rot. Bonds3

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

3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-3-ol (PubChem CID 90420697) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-3-ol
PubChem CID90420697
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-3-ol
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3(O)CCNC3)cc12
InChIInChI=1S/C18H18FN3O2/c1-24-15-3-2-11(19)8-13(15)12-4-6-21-17-14(12)9-16(22-17)18(23)5-7-20-10-18/h2-4,6,8-9,20,23H,5,7,10H2,1H3,(H,21,22)
InChIKeyAOKTYMVIAFHQCO-UHFFFAOYSA-N
XLogP2.56
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.56
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]pyrrolidin-3-ol?
The IUPAC name of 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-3-ol (CID 90420697) is 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-3-ol is COc1ccc(F)cc1-c1ccnc2[nH]c(C3(O)CCNC3)cc12.
What is the InChIKey of 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-3-ol?
The InChIKey is AOKTYMVIAFHQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-24-15-3-2-11(19)8-13(15)12-4-6-21-17-14(12)9-16(22-17)18(23)5-7-20-10-18/h2-4,6,8-9,20,23H,5,7,10H2,1H3,(H,21,22).
What are the key properties of 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-3-ol?
3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]pyrrolidin-3-ol has a molecular weight of 327.36 g/mol, XLogP of 2.56, 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]pyrrolidin-3-ol is sourced from PubChem (CID 90420697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).