2-methyl-3-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine

C13H19N3S — CID 63965507

IUPAC2-methyl-3-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine
SMILESCSCC(C)CNCc1cnn2ccccc12
InChIInChI=1S/C13H19N3S/c1-11(10-17-2)7-14-8-12-9-15-16-6-4-3-5-13(12)16/h3-6,9,11,14H,7-8,10H2,1-2H3
InChIKeyBUWCDYCMGGGODV-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.42
Rot. Bonds6

About 2-methyl-3-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine

2-methyl-3-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine (PubChem CID 63965507) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine
PubChem CID63965507
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name2-methyl-3-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine
SMILESCSCC(C)CNCc1cnn2ccccc12
InChIInChI=1S/C13H19N3S/c1-11(10-17-2)7-14-8-12-9-15-16-6-4-3-5-13(12)16/h3-6,9,11,14H,7-8,10H2,1-2H3
InChIKeyBUWCDYCMGGGODV-UHFFFAOYSA-N
XLogP2.42
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine (CID 63965507) is 2-methyl-3-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine is CSCC(C)CNCc1cnn2ccccc12.
What is the InChIKey of 2-methyl-3-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is BUWCDYCMGGGODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-11(10-17-2)7-14-8-12-9-15-16-6-4-3-5-13(12)16/h3-6,9,11,14H,7-8,10H2,1-2H3.
What are the key properties of 2-methyl-3-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine?
2-methyl-3-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 63965507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).