1-butyl-4-(difluoromethyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine

C17H19F2N3S — CID 19589194

IUPAC1-butyl-4-(difluoromethyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine
SMILESCCCCn1nc(C)c2c(C(F)F)cc(-c3ccc(C)s3)nc21
InChIInChI=1S/C17H19F2N3S/c1-4-5-8-22-17-15(11(3)21-22)12(16(18)19)9-13(20-17)14-7-6-10(2)23-14/h6-7,9,16H,4-5,8H2,1-3H3
InChIKeyXFOMOMNPTVJOGW-UHFFFAOYSA-N
MW335.42 g/mol
LogP5.51
Rot. Bonds5

About 1-butyl-4-(difluoromethyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine

1-butyl-4-(difluoromethyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine (PubChem CID 19589194) has the molecular formula C17H19F2N3S and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-butyl-4-(difluoromethyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-butyl-4-(difluoromethyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine
PubChem CID19589194
Molecular FormulaC17H19F2N3S
Molecular Weight335.42 g/mol
Exact Mass335.13
IUPAC Name1-butyl-4-(difluoromethyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine
SMILESCCCCn1nc(C)c2c(C(F)F)cc(-c3ccc(C)s3)nc21
InChIInChI=1S/C17H19F2N3S/c1-4-5-8-22-17-15(11(3)21-22)12(16(18)19)9-13(20-17)14-7-6-10(2)23-14/h6-7,9,16H,4-5,8H2,1-3H3
InChIKeyXFOMOMNPTVJOGW-UHFFFAOYSA-N
XLogP5.51
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.42
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(difluoromethyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-butyl-4-(difluoromethyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine (CID 19589194) is 1-butyl-4-(difluoromethyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-butyl-4-(difluoromethyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-butyl-4-(difluoromethyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine is CCCCn1nc(C)c2c(C(F)F)cc(-c3ccc(C)s3)nc21.
What is the InChIKey of 1-butyl-4-(difluoromethyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine?
The InChIKey is XFOMOMNPTVJOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3S/c1-4-5-8-22-17-15(11(3)21-22)12(16(18)19)9-13(20-17)14-7-6-10(2)23-14/h6-7,9,16H,4-5,8H2,1-3H3.
What are the key properties of 1-butyl-4-(difluoromethyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine?
1-butyl-4-(difluoromethyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine has a molecular weight of 335.42 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(difluoromethyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19589194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).