2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-pyrazolo[1,5-a]pyridin-3-ylethanone

C18H18FN5O — CID 71601990

IUPAC2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-pyrazolo[1,5-a]pyridin-3-ylethanone
SMILESO=C(CN1CCN(c2ccc(F)cn2)CC1)c1cnn2ccccc12
InChIInChI=1S/C18H18FN5O/c19-14-4-5-18(20-11-14)23-9-7-22(8-10-23)13-17(25)15-12-21-24-6-2-1-3-16(15)24/h1-6,11-12H,7-10,13H2
InChIKeySHXRSSWYCNXYBM-UHFFFAOYSA-N
MW339.37 g/mol
LogP1.87
Rot. Bonds4

About 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-pyrazolo[1,5-a]pyridin-3-ylethanone

2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-pyrazolo[1,5-a]pyridin-3-ylethanone (PubChem CID 71601990) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-pyrazolo[1,5-a]pyridin-3-ylethanone.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-pyrazolo[1,5-a]pyridin-3-ylethanone
PubChem CID71601990
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-pyrazolo[1,5-a]pyridin-3-ylethanone
SMILESO=C(CN1CCN(c2ccc(F)cn2)CC1)c1cnn2ccccc12
InChIInChI=1S/C18H18FN5O/c19-14-4-5-18(20-11-14)23-9-7-22(8-10-23)13-17(25)15-12-21-24-6-2-1-3-16(15)24/h1-6,11-12H,7-10,13H2
InChIKeySHXRSSWYCNXYBM-UHFFFAOYSA-N
XLogP1.87
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-pyrazolo[1,5-a]pyridin-3-ylethanone?
The IUPAC name of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-pyrazolo[1,5-a]pyridin-3-ylethanone (CID 71601990) is 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-pyrazolo[1,5-a]pyridin-3-ylethanone.
What is the SMILES notation for 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-pyrazolo[1,5-a]pyridin-3-ylethanone?
The canonical SMILES for 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-pyrazolo[1,5-a]pyridin-3-ylethanone is O=C(CN1CCN(c2ccc(F)cn2)CC1)c1cnn2ccccc12.
What is the InChIKey of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-pyrazolo[1,5-a]pyridin-3-ylethanone?
The InChIKey is SHXRSSWYCNXYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-14-4-5-18(20-11-14)23-9-7-22(8-10-23)13-17(25)15-12-21-24-6-2-1-3-16(15)24/h1-6,11-12H,7-10,13H2.
What are the key properties of 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-pyrazolo[1,5-a]pyridin-3-ylethanone?
2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-pyrazolo[1,5-a]pyridin-3-ylethanone has a molecular weight of 339.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-pyrazolo[1,5-a]pyridin-3-ylethanone is sourced from PubChem (CID 71601990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).