6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C19H18F5N3O2 — CID 19497932

IUPAC6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCOc1cc(-c2cc(C(F)(F)F)c3c(C)nn(C(C)C)c3n2)ccc1OC(F)F
InChIInChI=1S/C19H18F5N3O2/c1-9(2)27-17-16(10(3)26-27)12(19(22,23)24)8-13(25-17)11-5-6-14(29-18(20)21)15(7-11)28-4/h5-9,18H,1-4H3
InChIKeyJIRPNZDPDRBKAB-UHFFFAOYSA-N
MW415.36 g/mol
LogP5.62
Rot. Bonds5

About 6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 19497932) has the molecular formula C19H18F5N3O2 and a molecular weight of 415.36 g/mol. Its IUPAC name is 6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID19497932
Molecular FormulaC19H18F5N3O2
Molecular Weight415.36 g/mol
Exact Mass415.13
IUPAC Name6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCOc1cc(-c2cc(C(F)(F)F)c3c(C)nn(C(C)C)c3n2)ccc1OC(F)F
InChIInChI=1S/C19H18F5N3O2/c1-9(2)27-17-16(10(3)26-27)12(19(22,23)24)8-13(25-17)11-5-6-14(29-18(20)21)15(7-11)28-4/h5-9,18H,1-4H3
InChIKeyJIRPNZDPDRBKAB-UHFFFAOYSA-N
XLogP5.62
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.36
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-1-propan-2-yl-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 6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 19497932) is 6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is COc1cc(-c2cc(C(F)(F)F)c3c(C)nn(C(C)C)c3n2)ccc1OC(F)F.
What is the InChIKey of 6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is JIRPNZDPDRBKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F5N3O2/c1-9(2)27-17-16(10(3)26-27)12(19(22,23)24)8-13(25-17)11-5-6-14(29-18(20)21)15(7-11)28-4/h5-9,18H,1-4H3.
What are the key properties of 6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 415.36 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19497932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).