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

C15H12F3N3S — CID 17025911

IUPAC3-cyclopropyl-1-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3cccs3)nc21
InChIInChI=1S/C15H12F3N3S/c1-21-14-12(13(20-21)8-4-5-8)9(15(16,17)18)7-10(19-14)11-3-2-6-22-11/h2-3,6-8H,4-5H2,1H3
InChIKeyDVFUDUMWNOROQN-UHFFFAOYSA-N
MW323.34 g/mol
LogP4.59
Rot. Bonds2

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

3-cyclopropyl-1-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 17025911) has the molecular formula C15H12F3N3S and a molecular weight of 323.34 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID17025911
Molecular FormulaC15H12F3N3S
Molecular Weight323.34 g/mol
Exact Mass323.07
IUPAC Name3-cyclopropyl-1-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3cccs3)nc21
InChIInChI=1S/C15H12F3N3S/c1-21-14-12(13(20-21)8-4-5-8)9(15(16,17)18)7-10(19-14)11-3-2-6-22-11/h2-3,6-8H,4-5H2,1H3
InChIKeyDVFUDUMWNOROQN-UHFFFAOYSA-N
XLogP4.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-1-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 17025911) is 3-cyclopropyl-1-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-1-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-1-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3cccs3)nc21.
What is the InChIKey of 3-cyclopropyl-1-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is DVFUDUMWNOROQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3S/c1-21-14-12(13(20-21)8-4-5-8)9(15(16,17)18)7-10(19-14)11-3-2-6-22-11/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 3-cyclopropyl-1-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
3-cyclopropyl-1-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 323.34 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 17025911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).