6-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-azaspiro[3.3]heptan-6-ol

C20H20FN3O2 — CID 90420044

IUPAC6-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-azaspiro[3.3]heptan-6-ol
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3(O)CC4(CNC4)C3)cc12
InChIInChI=1S/C20H20FN3O2/c1-26-16-3-2-12(21)6-14(16)13-4-5-23-18-15(13)7-17(24-18)20(25)8-19(9-20)10-22-11-19/h2-7,22,25H,8-11H2,1H3,(H,23,24)
InChIKeyIHFGWHNPKFHXOL-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.95
Rot. Bonds3

About 6-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-azaspiro[3.3]heptan-6-ol

6-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-azaspiro[3.3]heptan-6-ol (PubChem CID 90420044) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 6-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-azaspiro[3.3]heptan-6-ol.

Molecular Properties

Compound Name6-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-azaspiro[3.3]heptan-6-ol
PubChem CID90420044
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name6-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-azaspiro[3.3]heptan-6-ol
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3(O)CC4(CNC4)C3)cc12
InChIInChI=1S/C20H20FN3O2/c1-26-16-3-2-12(21)6-14(16)13-4-5-23-18-15(13)7-17(24-18)20(25)8-19(9-20)10-22-11-19/h2-7,22,25H,8-11H2,1H3,(H,23,24)
InChIKeyIHFGWHNPKFHXOL-UHFFFAOYSA-N
XLogP2.95
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-azaspiro[3.3]heptan-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-azaspiro[3.3]heptan-6-ol?
The IUPAC name of 6-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-azaspiro[3.3]heptan-6-ol (CID 90420044) is 6-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-azaspiro[3.3]heptan-6-ol.
What is the SMILES notation for 6-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-azaspiro[3.3]heptan-6-ol?
The canonical SMILES for 6-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-azaspiro[3.3]heptan-6-ol is COc1ccc(F)cc1-c1ccnc2[nH]c(C3(O)CC4(CNC4)C3)cc12.
What is the InChIKey of 6-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-azaspiro[3.3]heptan-6-ol?
The InChIKey is IHFGWHNPKFHXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-26-16-3-2-12(21)6-14(16)13-4-5-23-18-15(13)7-17(24-18)20(25)8-19(9-20)10-22-11-19/h2-7,22,25H,8-11H2,1H3,(H,23,24).
What are the key properties of 6-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-azaspiro[3.3]heptan-6-ol?
6-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-azaspiro[3.3]heptan-6-ol has a molecular weight of 353.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-azaspiro[3.3]heptan-6-ol is sourced from PubChem (CID 90420044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).