5-[4-fluoro-2-methyl-5-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)phenoxy]-1H-pyrrolo[2,3-b]pyridine

C26H31FN4O — CID 167047421

IUPAC5-[4-fluoro-2-methyl-5-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)phenoxy]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc(F)c(N2CCC3(CC2)CC(N2CCCC2)C3)cc1Oc1cnc2[nH]ccc2c1
InChIInChI=1S/C26H31FN4O/c1-18-12-22(27)23(14-24(18)32-21-13-19-4-7-28-25(19)29-17-21)31-10-5-26(6-11-31)15-20(16-26)30-8-2-3-9-30/h4,7,12-14,17,20H,2-3,5-6,8-11,15-16H2,1H3,(H,28,29)
InChIKeyHZGNUTFAILIEMD-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.65
Rot. Bonds4

About 5-[4-fluoro-2-methyl-5-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)phenoxy]-1H-pyrrolo[2,3-b]pyridine

5-[4-fluoro-2-methyl-5-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)phenoxy]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 167047421) has the molecular formula C26H31FN4O and a molecular weight of 434.56 g/mol. Its IUPAC name is 5-[4-fluoro-2-methyl-5-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)phenoxy]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[4-fluoro-2-methyl-5-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)phenoxy]-1H-pyrrolo[2,3-b]pyridine
PubChem CID167047421
Molecular FormulaC26H31FN4O
Molecular Weight434.56 g/mol
Exact Mass434.25
IUPAC Name5-[4-fluoro-2-methyl-5-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)phenoxy]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc(F)c(N2CCC3(CC2)CC(N2CCCC2)C3)cc1Oc1cnc2[nH]ccc2c1
InChIInChI=1S/C26H31FN4O/c1-18-12-22(27)23(14-24(18)32-21-13-19-4-7-28-25(19)29-17-21)31-10-5-26(6-11-31)15-20(16-26)30-8-2-3-9-30/h4,7,12-14,17,20H,2-3,5-6,8-11,15-16H2,1H3,(H,28,29)
InChIKeyHZGNUTFAILIEMD-UHFFFAOYSA-N
XLogP5.65
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-fluoro-2-methyl-5-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)phenoxy]-1H-pyrrolo[2,3-b]pyridine 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 5-[4-fluoro-2-methyl-5-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)phenoxy]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[4-fluoro-2-methyl-5-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)phenoxy]-1H-pyrrolo[2,3-b]pyridine (CID 167047421) is 5-[4-fluoro-2-methyl-5-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)phenoxy]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[4-fluoro-2-methyl-5-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)phenoxy]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[4-fluoro-2-methyl-5-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)phenoxy]-1H-pyrrolo[2,3-b]pyridine is Cc1cc(F)c(N2CCC3(CC2)CC(N2CCCC2)C3)cc1Oc1cnc2[nH]ccc2c1.
What is the InChIKey of 5-[4-fluoro-2-methyl-5-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)phenoxy]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HZGNUTFAILIEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O/c1-18-12-22(27)23(14-24(18)32-21-13-19-4-7-28-25(19)29-17-21)31-10-5-26(6-11-31)15-20(16-26)30-8-2-3-9-30/h4,7,12-14,17,20H,2-3,5-6,8-11,15-16H2,1H3,(H,28,29).
What are the key properties of 5-[4-fluoro-2-methyl-5-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)phenoxy]-1H-pyrrolo[2,3-b]pyridine?
5-[4-fluoro-2-methyl-5-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)phenoxy]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 434.56 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-2-methyl-5-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)phenoxy]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 167047421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).