2-(methylsulfanylmethyl)-N-pyrazolo[1,5-a]pyridin-3-ylpyrrolidine-1-carboxamide

C14H18N4OS — CID 167751685

IUPAC2-(methylsulfanylmethyl)-N-pyrazolo[1,5-a]pyridin-3-ylpyrrolidine-1-carboxamide
SMILESCSCC1CCCN1C(=O)Nc1cnn2ccccc12
InChIInChI=1S/C14H18N4OS/c1-20-10-11-5-4-7-17(11)14(19)16-12-9-15-18-8-3-2-6-13(12)18/h2-3,6,8-9,11H,4-5,7,10H2,1H3,(H,16,19)
InChIKeyFBNYGGRRQLTCSR-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.69
Rot. Bonds3

About 2-(methylsulfanylmethyl)-N-pyrazolo[1,5-a]pyridin-3-ylpyrrolidine-1-carboxamide

2-(methylsulfanylmethyl)-N-pyrazolo[1,5-a]pyridin-3-ylpyrrolidine-1-carboxamide (PubChem CID 167751685) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-N-pyrazolo[1,5-a]pyridin-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-N-pyrazolo[1,5-a]pyridin-3-ylpyrrolidine-1-carboxamide
PubChem CID167751685
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-(methylsulfanylmethyl)-N-pyrazolo[1,5-a]pyridin-3-ylpyrrolidine-1-carboxamide
SMILESCSCC1CCCN1C(=O)Nc1cnn2ccccc12
InChIInChI=1S/C14H18N4OS/c1-20-10-11-5-4-7-17(11)14(19)16-12-9-15-18-8-3-2-6-13(12)18/h2-3,6,8-9,11H,4-5,7,10H2,1H3,(H,16,19)
InChIKeyFBNYGGRRQLTCSR-UHFFFAOYSA-N
XLogP2.69
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-N-pyrazolo[1,5-a]pyridin-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of 2-(methylsulfanylmethyl)-N-pyrazolo[1,5-a]pyridin-3-ylpyrrolidine-1-carboxamide (CID 167751685) is 2-(methylsulfanylmethyl)-N-pyrazolo[1,5-a]pyridin-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(methylsulfanylmethyl)-N-pyrazolo[1,5-a]pyridin-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-(methylsulfanylmethyl)-N-pyrazolo[1,5-a]pyridin-3-ylpyrrolidine-1-carboxamide is CSCC1CCCN1C(=O)Nc1cnn2ccccc12.
What is the InChIKey of 2-(methylsulfanylmethyl)-N-pyrazolo[1,5-a]pyridin-3-ylpyrrolidine-1-carboxamide?
The InChIKey is FBNYGGRRQLTCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-20-10-11-5-4-7-17(11)14(19)16-12-9-15-18-8-3-2-6-13(12)18/h2-3,6,8-9,11H,4-5,7,10H2,1H3,(H,16,19).
What are the key properties of 2-(methylsulfanylmethyl)-N-pyrazolo[1,5-a]pyridin-3-ylpyrrolidine-1-carboxamide?
2-(methylsulfanylmethyl)-N-pyrazolo[1,5-a]pyridin-3-ylpyrrolidine-1-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-N-pyrazolo[1,5-a]pyridin-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 167751685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).