[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

C20H20F2N4O — CID 57398388

IUPAC[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESO=C(c1cnn2ccccc12)N1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H20F2N4O/c21-16-5-4-15(18(22)13-16)6-8-24-9-11-25(12-10-24)20(27)17-14-23-26-7-2-1-3-19(17)26/h1-5,7,13-14H,6,8-12H2
InChIKeyKPBNNBPZVXBPFD-UHFFFAOYSA-N
MW370.40 g/mol
LogP2.61
Rot. Bonds4

About [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (PubChem CID 57398388) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
PubChem CID57398388
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESO=C(c1cnn2ccccc12)N1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H20F2N4O/c21-16-5-4-15(18(22)13-16)6-8-24-9-11-25(12-10-24)20(27)17-14-23-26-7-2-1-3-19(17)26/h1-5,7,13-14H,6,8-12H2
InChIKeyKPBNNBPZVXBPFD-UHFFFAOYSA-N
XLogP2.61
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The IUPAC name of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (CID 57398388) is [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.
What is the SMILES notation for [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The canonical SMILES for [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is O=C(c1cnn2ccccc12)N1CCN(CCc2ccc(F)cc2F)CC1.
What is the InChIKey of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The InChIKey is KPBNNBPZVXBPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c21-16-5-4-15(18(22)13-16)6-8-24-9-11-25(12-10-24)20(27)17-14-23-26-7-2-1-3-19(17)26/h1-5,7,13-14H,6,8-12H2.
What are the key properties of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone has a molecular weight of 370.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is sourced from PubChem (CID 57398388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).