[4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl methanesulfonate;yttrium

C11H12N3O4SY- — CID 59538998

IUPAC[4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl methanesulfonate;yttrium
SMILES[CH2-]NC(=O)c1cccn2nc(COS(C)(=O)=O)cc12.[Y]
InChIInChI=1S/C11H12N3O4S.Y/c1-12-11(15)9-4-3-5-14-10(9)6-8(13-14)7-18-19(2,16)17;/h3-6H,1,7H2,2H3,(H,12,15);/q-1;
InChIKeyNMUIPTOPOXQQED-UHFFFAOYSA-N
MW371.21 g/mol
LogP0.33
Rot. Bonds4

About [4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl methanesulfonate;yttrium

[4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl methanesulfonate;yttrium (PubChem CID 59538998) has the molecular formula C11H12N3O4SY- and a molecular weight of 371.21 g/mol. Its IUPAC name is [4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl methanesulfonate;yttrium.

Molecular Properties

Compound Name[4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl methanesulfonate;yttrium
PubChem CID59538998
Molecular FormulaC11H12N3O4SY-
Molecular Weight371.21 g/mol
Exact Mass370.96
IUPAC Name[4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl methanesulfonate;yttrium
SMILES[CH2-]NC(=O)c1cccn2nc(COS(C)(=O)=O)cc12.[Y]
InChIInChI=1S/C11H12N3O4S.Y/c1-12-11(15)9-4-3-5-14-10(9)6-8(13-14)7-18-19(2,16)17;/h3-6H,1,7H2,2H3,(H,12,15);/q-1;
InChIKeyNMUIPTOPOXQQED-UHFFFAOYSA-N
XLogP0.33
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl methanesulfonate;yttrium?
The IUPAC name of [4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl methanesulfonate;yttrium (CID 59538998) is [4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl methanesulfonate;yttrium.
What is the SMILES notation for [4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl methanesulfonate;yttrium?
The canonical SMILES for [4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl methanesulfonate;yttrium is [CH2-]NC(=O)c1cccn2nc(COS(C)(=O)=O)cc12.[Y].
What is the InChIKey of [4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl methanesulfonate;yttrium?
The InChIKey is NMUIPTOPOXQQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N3O4S.Y/c1-12-11(15)9-4-3-5-14-10(9)6-8(13-14)7-18-19(2,16)17;/h3-6H,1,7H2,2H3,(H,12,15);/q-1;.
What are the key properties of [4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl methanesulfonate;yttrium?
[4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl methanesulfonate;yttrium has a molecular weight of 371.21 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methanidylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl methanesulfonate;yttrium is sourced from PubChem (CID 59538998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).