1-butyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C20H20F5N3O2 — CID 19589252

IUPAC1-butyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(OC(F)F)c(OC)c3)nc21
InChIInChI=1S/C20H20F5N3O2/c1-4-5-8-28-18-17(11(2)27-28)13(20(23,24)25)10-14(26-18)12-6-7-15(30-19(21)22)16(9-12)29-3/h6-7,9-10,19H,4-5,8H2,1-3H3
InChIKeyRQSCSJBZTORJCI-UHFFFAOYSA-N
MW429.39 g/mol
LogP5.84
Rot. Bonds7

About 1-butyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

1-butyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 19589252) has the molecular formula C20H20F5N3O2 and a molecular weight of 429.39 g/mol. Its IUPAC name is 1-butyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-butyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID19589252
Molecular FormulaC20H20F5N3O2
Molecular Weight429.39 g/mol
Exact Mass429.15
IUPAC Name1-butyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(OC(F)F)c(OC)c3)nc21
InChIInChI=1S/C20H20F5N3O2/c1-4-5-8-28-18-17(11(2)27-28)13(20(23,24)25)10-14(26-18)12-6-7-15(30-19(21)22)16(9-12)29-3/h6-7,9-10,19H,4-5,8H2,1-3H3
InChIKeyRQSCSJBZTORJCI-UHFFFAOYSA-N
XLogP5.84
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.39
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-butyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-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-6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-butyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 19589252) is 1-butyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-butyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-butyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(OC(F)F)c(OC)c3)nc21.
What is the InChIKey of 1-butyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is RQSCSJBZTORJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F5N3O2/c1-4-5-8-28-18-17(11(2)27-28)13(20(23,24)25)10-14(26-18)12-6-7-15(30-19(21)22)16(9-12)29-3/h6-7,9-10,19H,4-5,8H2,1-3H3.
What are the key properties of 1-butyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
1-butyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 429.39 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19589252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).