4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one

C16H13F3N6O — CID 163349454

IUPAC4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
SMILESO=C1CN(c2nccn3nccc23)CCN1c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N6O/c17-16(18,19)13-9-11(1-3-20-13)24-8-7-23(10-14(24)26)15-12-2-4-22-25(12)6-5-21-15/h1-6,9H,7-8,10H2
InChIKeyNOULSPRDUVQOJP-UHFFFAOYSA-N
MW362.32 g/mol
LogP2.00
Rot. Bonds2

About 4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one

4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one (PubChem CID 163349454) has the molecular formula C16H13F3N6O and a molecular weight of 362.32 g/mol. Its IUPAC name is 4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
PubChem CID163349454
Molecular FormulaC16H13F3N6O
Molecular Weight362.32 g/mol
Exact Mass362.11
IUPAC Name4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
SMILESO=C1CN(c2nccn3nccc23)CCN1c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N6O/c17-16(18,19)13-9-11(1-3-20-13)24-8-7-23(10-14(24)26)15-12-2-4-22-25(12)6-5-21-15/h1-6,9H,7-8,10H2
InChIKeyNOULSPRDUVQOJP-UHFFFAOYSA-N
XLogP2.00
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one?
The IUPAC name of 4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one (CID 163349454) is 4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one is O=C1CN(c2nccn3nccc23)CCN1c1ccnc(C(F)(F)F)c1.
What is the InChIKey of 4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one?
The InChIKey is NOULSPRDUVQOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6O/c17-16(18,19)13-9-11(1-3-20-13)24-8-7-23(10-14(24)26)15-12-2-4-22-25(12)6-5-21-15/h1-6,9H,7-8,10H2.
What are the key properties of 4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one?
4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one has a molecular weight of 362.32 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazolo[1,5-a]pyrazin-4-yl-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one is sourced from PubChem (CID 163349454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).