6-methylsulfonyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine

C14H14N4O2S — CID 63312056

IUPAC6-methylsulfonyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NCc2cnn3ccccc23)cn1
InChIInChI=1S/C14H14N4O2S/c1-21(19,20)14-6-5-12(10-16-14)15-8-11-9-17-18-7-3-2-4-13(11)18/h2-7,9-10,15H,8H2,1H3
InChIKeyMLZYUPIKQIVJFT-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.74
Rot. Bonds4

About 6-methylsulfonyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine

6-methylsulfonyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine (PubChem CID 63312056) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 6-methylsulfonyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-methylsulfonyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine
PubChem CID63312056
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name6-methylsulfonyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NCc2cnn3ccccc23)cn1
InChIInChI=1S/C14H14N4O2S/c1-21(19,20)14-6-5-12(10-16-14)15-8-11-9-17-18-7-3-2-4-13(11)18/h2-7,9-10,15H,8H2,1H3
InChIKeyMLZYUPIKQIVJFT-UHFFFAOYSA-N
XLogP1.74
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine?
The IUPAC name of 6-methylsulfonyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine (CID 63312056) is 6-methylsulfonyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 6-methylsulfonyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine?
The canonical SMILES for 6-methylsulfonyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine is CS(=O)(=O)c1ccc(NCc2cnn3ccccc23)cn1.
What is the InChIKey of 6-methylsulfonyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine?
The InChIKey is MLZYUPIKQIVJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-21(19,20)14-6-5-12(10-16-14)15-8-11-9-17-18-7-3-2-4-13(11)18/h2-7,9-10,15H,8H2,1H3.
What are the key properties of 6-methylsulfonyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine?
6-methylsulfonyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine has a molecular weight of 302.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 63312056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).