methyl 3-ethyl-1-[2-methyl-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridine-6-carboxylate

C19H16F3N3O3 — CID 123602692

IUPACmethyl 3-ethyl-1-[2-methyl-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridine-6-carboxylate
SMILESCCc1nn(C(=O)c2c(C)cccc2C(F)(F)F)c2cc(C(=O)OC)cnc12
InChIInChI=1S/C19H16F3N3O3/c1-4-13-16-14(8-11(9-23-16)18(27)28-3)25(24-13)17(26)15-10(2)6-5-7-12(15)19(20,21)22/h5-9H,4H2,1-3H3
InChIKeyZGKHQCDIPOQNNH-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.80
Rot. Bonds3

About methyl 3-ethyl-1-[2-methyl-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridine-6-carboxylate

methyl 3-ethyl-1-[2-methyl-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridine-6-carboxylate (PubChem CID 123602692) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is methyl 3-ethyl-1-[2-methyl-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-1-[2-methyl-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridine-6-carboxylate
PubChem CID123602692
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Namemethyl 3-ethyl-1-[2-methyl-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridine-6-carboxylate
SMILESCCc1nn(C(=O)c2c(C)cccc2C(F)(F)F)c2cc(C(=O)OC)cnc12
InChIInChI=1S/C19H16F3N3O3/c1-4-13-16-14(8-11(9-23-16)18(27)28-3)25(24-13)17(26)15-10(2)6-5-7-12(15)19(20,21)22/h5-9H,4H2,1-3H3
InChIKeyZGKHQCDIPOQNNH-UHFFFAOYSA-N
XLogP3.80
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-1-[2-methyl-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridine-6-carboxylate?
The IUPAC name of methyl 3-ethyl-1-[2-methyl-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridine-6-carboxylate (CID 123602692) is methyl 3-ethyl-1-[2-methyl-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-ethyl-1-[2-methyl-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-ethyl-1-[2-methyl-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridine-6-carboxylate is CCc1nn(C(=O)c2c(C)cccc2C(F)(F)F)c2cc(C(=O)OC)cnc12.
What is the InChIKey of methyl 3-ethyl-1-[2-methyl-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridine-6-carboxylate?
The InChIKey is ZGKHQCDIPOQNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-4-13-16-14(8-11(9-23-16)18(27)28-3)25(24-13)17(26)15-10(2)6-5-7-12(15)19(20,21)22/h5-9H,4H2,1-3H3.
What are the key properties of methyl 3-ethyl-1-[2-methyl-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridine-6-carboxylate?
methyl 3-ethyl-1-[2-methyl-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridine-6-carboxylate has a molecular weight of 391.35 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-1-[2-methyl-6-(trifluoromethyl)benzoyl]pyrazolo[4,3-b]pyridine-6-carboxylate is sourced from PubChem (CID 123602692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).