2-[4-(1-methyl-1,2-diaza-3-azanidacyclopent-4-en-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C17H16N9O- — CID 163513162

IUPAC2-[4-(1-methyl-1,2-diaza-3-azanidacyclopent-4-en-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCN1C=C(c2cnn(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2)[N-]N1
InChIInChI=1S/C17H17N9O/c1-25-10-15(23-24-25)13-7-21-26(9-13)11-17(27)22-16-3-2-12(6-20-16)14-8-18-4-5-19-14/h2-10H,11H2,1H3,(H3,18,19,20,22,23,24,27)/p-1
InChIKeyJLAXBTUJZIHLRS-UHFFFAOYSA-M
MW362.38 g/mol
LogP1.41
Rot. Bonds5

About 2-[4-(1-methyl-1,2-diaza-3-azanidacyclopent-4-en-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[4-(1-methyl-1,2-diaza-3-azanidacyclopent-4-en-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 163513162) has the molecular formula C17H16N9O- and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-[4-(1-methyl-1,2-diaza-3-azanidacyclopent-4-en-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-methyl-1,2-diaza-3-azanidacyclopent-4-en-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID163513162
Molecular FormulaC17H16N9O-
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Name2-[4-(1-methyl-1,2-diaza-3-azanidacyclopent-4-en-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCN1C=C(c2cnn(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2)[N-]N1
InChIInChI=1S/C17H17N9O/c1-25-10-15(23-24-25)13-7-21-26(9-13)11-17(27)22-16-3-2-12(6-20-16)14-8-18-4-5-19-14/h2-10H,11H2,1H3,(H3,18,19,20,22,23,24,27)/p-1
InChIKeyJLAXBTUJZIHLRS-UHFFFAOYSA-M
XLogP1.41
TPSA114.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methyl-1,2-diaza-3-azanidacyclopent-4-en-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(1-methyl-1,2-diaza-3-azanidacyclopent-4-en-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 163513162) is 2-[4-(1-methyl-1,2-diaza-3-azanidacyclopent-4-en-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(1-methyl-1,2-diaza-3-azanidacyclopent-4-en-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(1-methyl-1,2-diaza-3-azanidacyclopent-4-en-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is CN1C=C(c2cnn(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2)[N-]N1.
What is the InChIKey of 2-[4-(1-methyl-1,2-diaza-3-azanidacyclopent-4-en-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is JLAXBTUJZIHLRS-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H17N9O/c1-25-10-15(23-24-25)13-7-21-26(9-13)11-17(27)22-16-3-2-12(6-20-16)14-8-18-4-5-19-14/h2-10H,11H2,1H3,(H3,18,19,20,22,23,24,27)/p-1.
What are the key properties of 2-[4-(1-methyl-1,2-diaza-3-azanidacyclopent-4-en-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[4-(1-methyl-1,2-diaza-3-azanidacyclopent-4-en-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 362.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyl-1,2-diaza-3-azanidacyclopent-4-en-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 163513162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).