1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one

C18H20N6O2 — CID 163301479

IUPAC1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(Oc2nc(-c3cnn(C)c3)cn3nccc23)CC1
InChIInChI=1S/C18H20N6O2/c1-3-17(25)23-8-5-14(6-9-23)26-18-16-4-7-19-24(16)12-15(21-18)13-10-20-22(2)11-13/h3-4,7,10-12,14H,1,5-6,8-9H2,2H3
InChIKeyVHRPNFQXOODJOD-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.69
Rot. Bonds4

About 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one

1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one (PubChem CID 163301479) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one
PubChem CID163301479
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(Oc2nc(-c3cnn(C)c3)cn3nccc23)CC1
InChIInChI=1S/C18H20N6O2/c1-3-17(25)23-8-5-14(6-9-23)26-18-16-4-7-19-24(16)12-15(21-18)13-10-20-22(2)11-13/h3-4,7,10-12,14H,1,5-6,8-9H2,2H3
InChIKeyVHRPNFQXOODJOD-UHFFFAOYSA-N
XLogP1.69
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-Methyl-N-(cis-3-methyl-3-((6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl)oxy)cyclobutyl)acrylamide
CID 163301394
example 5.20 on page 506 of WO15017610
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US20240083900, Example 11
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one (CID 163301479) is 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(Oc2nc(-c3cnn(C)c3)cn3nccc23)CC1.
What is the InChIKey of 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one?
The InChIKey is VHRPNFQXOODJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-3-17(25)23-8-5-14(6-9-23)26-18-16-4-7-19-24(16)12-15(21-18)13-10-20-22(2)11-13/h3-4,7,10-12,14H,1,5-6,8-9H2,2H3.
What are the key properties of 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one?
1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one has a molecular weight of 352.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 163301479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).