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

C14H16FN3O — CID 134286617

IUPAC1-[6-[(3S)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
SMILESCCC(=O)c1cnn2cc(N3CC[C@H](F)C3)ccc12
InChIInChI=1S/C14H16FN3O/c1-2-14(19)12-7-16-18-9-11(3-4-13(12)18)17-6-5-10(15)8-17/h3-4,7,9-10H,2,5-6,8H2,1H3/t10-/m0/s1
InChIKeyWABLQESFSCDUGJ-JTQLQIEISA-N
MW261.30 g/mol
LogP2.48
Rot. Bonds3

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

1-[6-[(3S)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one (PubChem CID 134286617) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-[6-[(3S)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-[(3S)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
PubChem CID134286617
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name1-[6-[(3S)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
SMILESCCC(=O)c1cnn2cc(N3CC[C@H](F)C3)ccc12
InChIInChI=1S/C14H16FN3O/c1-2-14(19)12-7-16-18-9-11(3-4-13(12)18)17-6-5-10(15)8-17/h3-4,7,9-10H,2,5-6,8H2,1H3/t10-/m0/s1
InChIKeyWABLQESFSCDUGJ-JTQLQIEISA-N
XLogP2.48
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3S)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one?
The IUPAC name of 1-[6-[(3S)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one (CID 134286617) is 1-[6-[(3S)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one.
What is the SMILES notation for 1-[6-[(3S)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one?
The canonical SMILES for 1-[6-[(3S)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one is CCC(=O)c1cnn2cc(N3CC[C@H](F)C3)ccc12.
What is the InChIKey of 1-[6-[(3S)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one?
The InChIKey is WABLQESFSCDUGJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16FN3O/c1-2-14(19)12-7-16-18-9-11(3-4-13(12)18)17-6-5-10(15)8-17/h3-4,7,9-10H,2,5-6,8H2,1H3/t10-/m0/s1.
What are the key properties of 1-[6-[(3S)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one?
1-[6-[(3S)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one has a molecular weight of 261.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3S)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one is sourced from PubChem (CID 134286617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).