1-butyl-4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridine

C13H17F2N3 — CID 19589925

IUPAC1-butyl-4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridine
SMILESCCCCn1nc(C)c2c(C(F)F)cc(C)nc21
InChIInChI=1S/C13H17F2N3/c1-4-5-6-18-13-11(9(3)17-18)10(12(14)15)7-8(2)16-13/h7,12H,4-6H2,1-3H3
InChIKeyLTWDNBUPVLBEJR-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.79
Rot. Bonds4

About 1-butyl-4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridine

1-butyl-4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridine (PubChem CID 19589925) has the molecular formula C13H17F2N3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-butyl-4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-butyl-4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridine
PubChem CID19589925
Molecular FormulaC13H17F2N3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-butyl-4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridine
SMILESCCCCn1nc(C)c2c(C(F)F)cc(C)nc21
InChIInChI=1S/C13H17F2N3/c1-4-5-6-18-13-11(9(3)17-18)10(12(14)15)7-8(2)16-13/h7,12H,4-6H2,1-3H3
InChIKeyLTWDNBUPVLBEJR-UHFFFAOYSA-N
XLogP3.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-butyl-4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridine?
The IUPAC name of 1-butyl-4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridine (CID 19589925) is 1-butyl-4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1-butyl-4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 1-butyl-4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridine is CCCCn1nc(C)c2c(C(F)F)cc(C)nc21.
What is the InChIKey of 1-butyl-4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridine?
The InChIKey is LTWDNBUPVLBEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3/c1-4-5-6-18-13-11(9(3)17-18)10(12(14)15)7-8(2)16-13/h7,12H,4-6H2,1-3H3.
What are the key properties of 1-butyl-4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridine?
1-butyl-4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridine has a molecular weight of 253.30 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 19589925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).