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

C15H13ClF3N3S — CID 19497852

IUPAC6-(5-chlorothiophen-2-yl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(Cl)s3)nc21
InChIInChI=1S/C15H13ClF3N3S/c1-3-6-22-14-13(8(2)21-22)9(15(17,18)19)7-10(20-14)11-4-5-12(16)23-11/h4-5,7H,3,6H2,1-2H3
InChIKeyNMMNRTACPQCRJM-UHFFFAOYSA-N
MW359.80 g/mol
LogP5.55
Rot. Bonds3

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

6-(5-chlorothiophen-2-yl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 19497852) has the molecular formula C15H13ClF3N3S and a molecular weight of 359.80 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID19497852
Molecular FormulaC15H13ClF3N3S
Molecular Weight359.80 g/mol
Exact Mass359.05
IUPAC Name6-(5-chlorothiophen-2-yl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(Cl)s3)nc21
InChIInChI=1S/C15H13ClF3N3S/c1-3-6-22-14-13(8(2)21-22)9(15(17,18)19)7-10(20-14)11-4-5-12(16)23-11/h4-5,7H,3,6H2,1-2H3
InChIKeyNMMNRTACPQCRJM-UHFFFAOYSA-N
XLogP5.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.80
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(5-chlorothiophen-2-yl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 19497852) is 6-(5-chlorothiophen-2-yl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is CCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(Cl)s3)nc21.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is NMMNRTACPQCRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3S/c1-3-6-22-14-13(8(2)21-22)9(15(17,18)19)7-10(20-14)11-4-5-12(16)23-11/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 6-(5-chlorothiophen-2-yl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-(5-chlorothiophen-2-yl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 359.80 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19497852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).