6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-ide;tungsten

C14H13N6W- — CID 58835317

IUPAC6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-ide;tungsten
SMILESCc1cc(-n2ccc(-n3cccn3)n2)c2c(n1)[N-]CC2.[W]
InChIInChI=1S/C14H13N6.W/c1-10-9-12(11-3-6-15-14(11)17-10)19-8-4-13(18-19)20-7-2-5-16-20;/h2,4-5,7-9H,3,6H2,1H3;/q-1;
InChIKeyKKNHWXFANMMWQA-UHFFFAOYSA-N
MW449.14 g/mol
LogP2.32
Rot. Bonds2

About 6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-ide;tungsten

6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-ide;tungsten (PubChem CID 58835317) has the molecular formula C14H13N6W- and a molecular weight of 449.14 g/mol. Its IUPAC name is 6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-ide;tungsten.

Molecular Properties

Compound Name6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-ide;tungsten
PubChem CID58835317
Molecular FormulaC14H13N6W-
Molecular Weight449.14 g/mol
Exact Mass449.07
IUPAC Name6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-ide;tungsten
SMILESCc1cc(-n2ccc(-n3cccn3)n2)c2c(n1)[N-]CC2.[W]
InChIInChI=1S/C14H13N6.W/c1-10-9-12(11-3-6-15-14(11)17-10)19-8-4-13(18-19)20-7-2-5-16-20;/h2,4-5,7-9H,3,6H2,1H3;/q-1;
InChIKeyKKNHWXFANMMWQA-UHFFFAOYSA-N
XLogP2.32
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.14
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 67312128
N'-hydroxy-2-methyl-6-pyrazol-1-ylpyridine-4-carboximidamide
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1-(2,4-dimethylphenyl)pyrazole
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cobalt;2,6-di(pyrazol-1-yl)pyridine
CID 175285024
4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine
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1-(2-bromo-5-methylphenyl)pyrazole
CID 130121317
5-methyl-3-pyrazol-1-yl-1H-pyrazole
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tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt
CID 157199810

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-ide;tungsten?
The IUPAC name of 6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-ide;tungsten (CID 58835317) is 6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-ide;tungsten.
What is the SMILES notation for 6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-ide;tungsten?
The canonical SMILES for 6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-ide;tungsten is Cc1cc(-n2ccc(-n3cccn3)n2)c2c(n1)[N-]CC2.[W].
What is the InChIKey of 6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-ide;tungsten?
The InChIKey is KKNHWXFANMMWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N6.W/c1-10-9-12(11-3-6-15-14(11)17-10)19-8-4-13(18-19)20-7-2-5-16-20;/h2,4-5,7-9H,3,6H2,1H3;/q-1;.
What are the key properties of 6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-ide;tungsten?
6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-ide;tungsten has a molecular weight of 449.14 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(3-pyrazol-1-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-ide;tungsten is sourced from PubChem (CID 58835317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).