2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C19H18N6O2 — CID 121280523

IUPAC2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESO=C(Cn1cc(C2=CCOCC2)cn1)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C19H18N6O2/c26-19(13-25-12-16(10-23-25)14-3-7-27-8-4-14)24-18-2-1-15(9-22-18)17-11-20-5-6-21-17/h1-3,5-6,9-12H,4,7-8,13H2,(H,22,24,26)
InChIKeyFOWXFKDOPOQBQR-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.18
Rot. Bonds5

About 2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 121280523) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID121280523
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESO=C(Cn1cc(C2=CCOCC2)cn1)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C19H18N6O2/c26-19(13-25-12-16(10-23-25)14-3-7-27-8-4-14)24-18-2-1-15(9-22-18)17-11-20-5-6-21-17/h1-3,5-6,9-12H,4,7-8,13H2,(H,22,24,26)
InChIKeyFOWXFKDOPOQBQR-UHFFFAOYSA-N
XLogP2.18
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 121280523) is 2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is O=C(Cn1cc(C2=CCOCC2)cn1)Nc1ccc(-c2cnccn2)cn1.
What is the InChIKey of 2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is FOWXFKDOPOQBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c26-19(13-25-12-16(10-23-25)14-3-7-27-8-4-14)24-18-2-1-15(9-22-18)17-11-20-5-6-21-17/h1-3,5-6,9-12H,4,7-8,13H2,(H,22,24,26).
What are the key properties of 2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 362.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 121280523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).