5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine

C20H20FN3O2 — CID 130433802

IUPAC5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine
SMILESCc1cnn2ccc(N3CCCC3c3cc(F)cc4c3OCCO4)cc12
InChIInChI=1S/C20H20FN3O2/c1-13-12-22-24-6-4-15(11-18(13)24)23-5-2-3-17(23)16-9-14(21)10-19-20(16)26-8-7-25-19/h4,6,9-12,17H,2-3,5,7-8H2,1H3
InChIKeyLORWBTALFRBHCT-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.89
Rot. Bonds2

About 5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine

5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine (PubChem CID 130433802) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine
PubChem CID130433802
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine
SMILESCc1cnn2ccc(N3CCCC3c3cc(F)cc4c3OCCO4)cc12
InChIInChI=1S/C20H20FN3O2/c1-13-12-22-24-6-4-15(11-18(13)24)23-5-2-3-17(23)16-9-14(21)10-19-20(16)26-8-7-25-19/h4,6,9-12,17H,2-3,5,7-8H2,1H3
InChIKeyLORWBTALFRBHCT-UHFFFAOYSA-N
XLogP3.89
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine?
The IUPAC name of 5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine (CID 130433802) is 5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine is Cc1cnn2ccc(N3CCCC3c3cc(F)cc4c3OCCO4)cc12.
What is the InChIKey of 5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine?
The InChIKey is LORWBTALFRBHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13-12-22-24-6-4-15(11-18(13)24)23-5-2-3-17(23)16-9-14(21)10-19-20(16)26-8-7-25-19/h4,6,9-12,17H,2-3,5,7-8H2,1H3.
What are the key properties of 5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine?
5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine has a molecular weight of 353.40 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 130433802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).