2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-4H-imidazo[5,1-e]pyrazol-6-one

C16H15FN6O2 — CID 168879221

IUPAC2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-4H-imidazo[5,1-e]pyrazol-6-one
SMILESCn1cc(N2Cc3cc(-c4ccc(OCCF)nc4)nn3C2=O)cn1
InChIInChI=1S/C16H15FN6O2/c1-21-9-13(8-19-21)22-10-12-6-14(20-23(12)16(22)24)11-2-3-15(18-7-11)25-5-4-17/h2-3,6-9H,4-5,10H2,1H3
InChIKeyQDRLCLFPAYNQAM-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.02
Rot. Bonds5

About 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-4H-imidazo[5,1-e]pyrazol-6-one

2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-4H-imidazo[5,1-e]pyrazol-6-one (PubChem CID 168879221) has the molecular formula C16H15FN6O2 and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-4H-imidazo[5,1-e]pyrazol-6-one.

Molecular Properties

Compound Name2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-4H-imidazo[5,1-e]pyrazol-6-one
PubChem CID168879221
Molecular FormulaC16H15FN6O2
Molecular Weight342.33 g/mol
Exact Mass342.12
IUPAC Name2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-4H-imidazo[5,1-e]pyrazol-6-one
SMILESCn1cc(N2Cc3cc(-c4ccc(OCCF)nc4)nn3C2=O)cn1
InChIInChI=1S/C16H15FN6O2/c1-21-9-13(8-19-21)22-10-12-6-14(20-23(12)16(22)24)11-2-3-15(18-7-11)25-5-4-17/h2-3,6-9H,4-5,10H2,1H3
InChIKeyQDRLCLFPAYNQAM-UHFFFAOYSA-N
XLogP2.02
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-4H-imidazo[5,1-e]pyrazol-6-one?
The IUPAC name of 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-4H-imidazo[5,1-e]pyrazol-6-one (CID 168879221) is 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-4H-imidazo[5,1-e]pyrazol-6-one.
What is the SMILES notation for 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-4H-imidazo[5,1-e]pyrazol-6-one?
The canonical SMILES for 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-4H-imidazo[5,1-e]pyrazol-6-one is Cn1cc(N2Cc3cc(-c4ccc(OCCF)nc4)nn3C2=O)cn1.
What is the InChIKey of 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-4H-imidazo[5,1-e]pyrazol-6-one?
The InChIKey is QDRLCLFPAYNQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O2/c1-21-9-13(8-19-21)22-10-12-6-14(20-23(12)16(22)24)11-2-3-15(18-7-11)25-5-4-17/h2-3,6-9H,4-5,10H2,1H3.
What are the key properties of 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-4H-imidazo[5,1-e]pyrazol-6-one?
2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-4H-imidazo[5,1-e]pyrazol-6-one has a molecular weight of 342.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-4H-imidazo[5,1-e]pyrazol-6-one is sourced from PubChem (CID 168879221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).