4-(difluoromethylsulfanyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline

C15H13F2N3S — CID 63311967

IUPAC4-(difluoromethylsulfanyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
SMILESFC(F)Sc1ccc(NCc2cnn3ccccc23)cc1
InChIInChI=1S/C15H13F2N3S/c16-15(17)21-13-6-4-12(5-7-13)18-9-11-10-19-20-8-2-1-3-14(11)20/h1-8,10,15,18H,9H2
InChIKeyPSASUGJEMDMNRG-UHFFFAOYSA-N
MW305.35 g/mol
LogP4.26
Rot. Bonds5

About 4-(difluoromethylsulfanyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline

4-(difluoromethylsulfanyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline (PubChem CID 63311967) has the molecular formula C15H13F2N3S and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
PubChem CID63311967
Molecular FormulaC15H13F2N3S
Molecular Weight305.35 g/mol
Exact Mass305.08
IUPAC Name4-(difluoromethylsulfanyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
SMILESFC(F)Sc1ccc(NCc2cnn3ccccc23)cc1
InChIInChI=1S/C15H13F2N3S/c16-15(17)21-13-6-4-12(5-7-13)18-9-11-10-19-20-8-2-1-3-14(11)20/h1-8,10,15,18H,9H2
InChIKeyPSASUGJEMDMNRG-UHFFFAOYSA-N
XLogP4.26
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline (CID 63311967) is 4-(difluoromethylsulfanyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline is FC(F)Sc1ccc(NCc2cnn3ccccc23)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The InChIKey is PSASUGJEMDMNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3S/c16-15(17)21-13-6-4-12(5-7-13)18-9-11-10-19-20-8-2-1-3-14(11)20/h1-8,10,15,18H,9H2.
What are the key properties of 4-(difluoromethylsulfanyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
4-(difluoromethylsulfanyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline has a molecular weight of 305.35 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 63311967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).