5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-N-(2-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C22H23FN6O2 — CID 168772962

IUPAC5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-N-(2-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1nc(NC2CCC3(CC2)COC3)nc2[nH]cc(-c3ccc4ncc(F)n4c3)c12
InChIInChI=1S/C22H23FN6O2/c1-30-20-18-15(13-2-3-17-24-9-16(23)29(17)10-13)8-25-19(18)27-21(28-20)26-14-4-6-22(7-5-14)11-31-12-22/h2-3,8-10,14H,4-7,11-12H2,1H3,(H2,25,26,27,28)
InChIKeyXBLCDEFRJTWVGN-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.79
Rot. Bonds4

About 5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-N-(2-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-N-(2-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168772962) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-N-(2-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-N-(2-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168772962
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-N-(2-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1nc(NC2CCC3(CC2)COC3)nc2[nH]cc(-c3ccc4ncc(F)n4c3)c12
InChIInChI=1S/C22H23FN6O2/c1-30-20-18-15(13-2-3-17-24-9-16(23)29(17)10-13)8-25-19(18)27-21(28-20)26-14-4-6-22(7-5-14)11-31-12-22/h2-3,8-10,14H,4-7,11-12H2,1H3,(H2,25,26,27,28)
InChIKeyXBLCDEFRJTWVGN-UHFFFAOYSA-N
XLogP3.79
TPSA89.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-N-(2-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-N-(2-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-N-(2-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168772962) is 5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-N-(2-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-N-(2-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-N-(2-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is COc1nc(NC2CCC3(CC2)COC3)nc2[nH]cc(-c3ccc4ncc(F)n4c3)c12.
What is the InChIKey of 5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-N-(2-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is XBLCDEFRJTWVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-30-20-18-15(13-2-3-17-24-9-16(23)29(17)10-13)8-25-19(18)27-21(28-20)26-14-4-6-22(7-5-14)11-31-12-22/h2-3,8-10,14H,4-7,11-12H2,1H3,(H2,25,26,27,28).
What are the key properties of 5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-N-(2-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-N-(2-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 422.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxy-N-(2-oxaspiro[3.5]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168772962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).