1-[6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one

C14H15F2N3O — CID 134286614

IUPAC1-[6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
SMILESCCC(=O)c1cnn2cc(N3CCC(F)(F)C3)ccc12
InChIInChI=1S/C14H15F2N3O/c1-2-13(20)11-7-17-19-8-10(3-4-12(11)19)18-6-5-14(15,16)9-18/h3-4,7-8H,2,5-6,9H2,1H3
InChIKeyADOYESNDKQAANL-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.77
Rot. Bonds3

About 1-[6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one

1-[6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one (PubChem CID 134286614) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-[6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
PubChem CID134286614
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name1-[6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
SMILESCCC(=O)c1cnn2cc(N3CCC(F)(F)C3)ccc12
InChIInChI=1S/C14H15F2N3O/c1-2-13(20)11-7-17-19-8-10(3-4-12(11)19)18-6-5-14(15,16)9-18/h3-4,7-8H,2,5-6,9H2,1H3
InChIKeyADOYESNDKQAANL-UHFFFAOYSA-N
XLogP2.77
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one?
The IUPAC name of 1-[6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one (CID 134286614) is 1-[6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one.
What is the SMILES notation for 1-[6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one?
The canonical SMILES for 1-[6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one is CCC(=O)c1cnn2cc(N3CCC(F)(F)C3)ccc12.
What is the InChIKey of 1-[6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one?
The InChIKey is ADOYESNDKQAANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-2-13(20)11-7-17-19-8-10(3-4-12(11)19)18-6-5-14(15,16)9-18/h3-4,7-8H,2,5-6,9H2,1H3.
What are the key properties of 1-[6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one?
1-[6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one has a molecular weight of 279.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one is sourced from PubChem (CID 134286614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).