3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanamide

C15H13F3N4OS — CID 2424138

IUPAC3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanamide
SMILESCc1nn(CCC(N)=O)c2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C15H13F3N4OS/c1-8-13-9(15(16,17)18)7-10(11-3-2-6-24-11)20-14(13)22(21-8)5-4-12(19)23/h2-3,6-7H,4-5H2,1H3,(H2,19,23)
InChIKeyIXVRQSPMRBIWPG-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.36
Rot. Bonds4

About 3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanamide

3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanamide (PubChem CID 2424138) has the molecular formula C15H13F3N4OS and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanamide
PubChem CID2424138
Molecular FormulaC15H13F3N4OS
Molecular Weight354.36 g/mol
Exact Mass354.08
IUPAC Name3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanamide
SMILESCc1nn(CCC(N)=O)c2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C15H13F3N4OS/c1-8-13-9(15(16,17)18)7-10(11-3-2-6-24-11)20-14(13)22(21-8)5-4-12(19)23/h2-3,6-7H,4-5H2,1H3,(H2,19,23)
InChIKeyIXVRQSPMRBIWPG-UHFFFAOYSA-N
XLogP3.36
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanamide?
The IUPAC name of 3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanamide (CID 2424138) is 3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanamide.
What is the SMILES notation for 3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanamide?
The canonical SMILES for 3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanamide is Cc1nn(CCC(N)=O)c2nc(-c3cccs3)cc(C(F)(F)F)c12.
What is the InChIKey of 3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanamide?
The InChIKey is IXVRQSPMRBIWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4OS/c1-8-13-9(15(16,17)18)7-10(11-3-2-6-24-11)20-14(13)22(21-8)5-4-12(19)23/h2-3,6-7H,4-5H2,1H3,(H2,19,23).
What are the key properties of 3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanamide?
3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanamide has a molecular weight of 354.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanamide is sourced from PubChem (CID 2424138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).