N-[5-(1,2-dihydropyrazin-2-yl)-2-pyridinyl]-2-[4-(1H-pyrazol-4-yl)pyrazol-1-yl]acetamide

C17H16N8O — CID 167074891

IUPACN-[5-(1,2-dihydropyrazin-2-yl)-2-pyridinyl]-2-[4-(1H-pyrazol-4-yl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2cn[nH]c2)cn1)Nc1ccc(C2C=NC=CN2)cn1
InChIInChI=1S/C17H16N8O/c26-17(11-25-10-14(8-23-25)13-6-21-22-7-13)24-16-2-1-12(5-20-16)15-9-18-3-4-19-15/h1-10,15,19H,11H2,(H,21,22)(H,20,24,26)
InChIKeyGQJRCGWTJZDSTH-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.49
Rot. Bonds5

About N-[5-(1,2-dihydropyrazin-2-yl)-2-pyridinyl]-2-[4-(1H-pyrazol-4-yl)pyrazol-1-yl]acetamide

N-[5-(1,2-dihydropyrazin-2-yl)-2-pyridinyl]-2-[4-(1H-pyrazol-4-yl)pyrazol-1-yl]acetamide (PubChem CID 167074891) has the molecular formula C17H16N8O and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[5-(1,2-dihydropyrazin-2-yl)-2-pyridinyl]-2-[4-(1H-pyrazol-4-yl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1,2-dihydropyrazin-2-yl)-2-pyridinyl]-2-[4-(1H-pyrazol-4-yl)pyrazol-1-yl]acetamide
PubChem CID167074891
Molecular FormulaC17H16N8O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC NameN-[5-(1,2-dihydropyrazin-2-yl)-2-pyridinyl]-2-[4-(1H-pyrazol-4-yl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2cn[nH]c2)cn1)Nc1ccc(C2C=NC=CN2)cn1
InChIInChI=1S/C17H16N8O/c26-17(11-25-10-14(8-23-25)13-6-21-22-7-13)24-16-2-1-12(5-20-16)15-9-18-3-4-19-15/h1-10,15,19H,11H2,(H,21,22)(H,20,24,26)
InChIKeyGQJRCGWTJZDSTH-UHFFFAOYSA-N
XLogP1.49
TPSA112.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,2-dihydropyrazin-2-yl)-2-pyridinyl]-2-[4-(1H-pyrazol-4-yl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[5-(1,2-dihydropyrazin-2-yl)-2-pyridinyl]-2-[4-(1H-pyrazol-4-yl)pyrazol-1-yl]acetamide (CID 167074891) is N-[5-(1,2-dihydropyrazin-2-yl)-2-pyridinyl]-2-[4-(1H-pyrazol-4-yl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[5-(1,2-dihydropyrazin-2-yl)-2-pyridinyl]-2-[4-(1H-pyrazol-4-yl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[5-(1,2-dihydropyrazin-2-yl)-2-pyridinyl]-2-[4-(1H-pyrazol-4-yl)pyrazol-1-yl]acetamide is O=C(Cn1cc(-c2cn[nH]c2)cn1)Nc1ccc(C2C=NC=CN2)cn1.
What is the InChIKey of N-[5-(1,2-dihydropyrazin-2-yl)-2-pyridinyl]-2-[4-(1H-pyrazol-4-yl)pyrazol-1-yl]acetamide?
The InChIKey is GQJRCGWTJZDSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O/c26-17(11-25-10-14(8-23-25)13-6-21-22-7-13)24-16-2-1-12(5-20-16)15-9-18-3-4-19-15/h1-10,15,19H,11H2,(H,21,22)(H,20,24,26).
What are the key properties of N-[5-(1,2-dihydropyrazin-2-yl)-2-pyridinyl]-2-[4-(1H-pyrazol-4-yl)pyrazol-1-yl]acetamide?
N-[5-(1,2-dihydropyrazin-2-yl)-2-pyridinyl]-2-[4-(1H-pyrazol-4-yl)pyrazol-1-yl]acetamide has a molecular weight of 348.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,2-dihydropyrazin-2-yl)-2-pyridinyl]-2-[4-(1H-pyrazol-4-yl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 167074891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).