[3-(trifluoromethyl)phenyl] 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate

C19H16F3N3O2 — CID 71899387

IUPAC[3-(trifluoromethyl)phenyl] 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)Oc3cccc(C(F)(F)F)c3)c12
InChIInChI=1S/C19H16F3N3O2/c1-10-16-14(9-15(11-6-7-11)23-17(16)25(2)24-10)18(26)27-13-5-3-4-12(8-13)19(20,21)22/h3-5,8-9,11H,6-7H2,1-2H3
InChIKeyIKHKVMXHTSSYKZ-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.39
Rot. Bonds3

About [3-(trifluoromethyl)phenyl] 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate

[3-(trifluoromethyl)phenyl] 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 71899387) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl] 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl] 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID71899387
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name[3-(trifluoromethyl)phenyl] 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)Oc3cccc(C(F)(F)F)c3)c12
InChIInChI=1S/C19H16F3N3O2/c1-10-16-14(9-15(11-6-7-11)23-17(16)25(2)24-10)18(26)27-13-5-3-4-12(8-13)19(20,21)22/h3-5,8-9,11H,6-7H2,1-2H3
InChIKeyIKHKVMXHTSSYKZ-UHFFFAOYSA-N
XLogP4.39
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616466
N-cyclopropyl-1,3,6-trimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55593905
6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822712
6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 31761752
[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 60510310
(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 39891388
6-cyclopropyl-N,N-diethyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 34838029
1-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 34840370
6-cyclopropyl-N-ethoxy-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555845
N,N-bis(2-aminoethyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155965372
6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55689006
6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38398974

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl] 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [3-(trifluoromethyl)phenyl] 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 71899387) is [3-(trifluoromethyl)phenyl] 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [3-(trifluoromethyl)phenyl] 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [3-(trifluoromethyl)phenyl] 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate is Cc1nn(C)c2nc(C3CC3)cc(C(=O)Oc3cccc(C(F)(F)F)c3)c12.
What is the InChIKey of [3-(trifluoromethyl)phenyl] 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is IKHKVMXHTSSYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-10-16-14(9-15(11-6-7-11)23-17(16)25(2)24-10)18(26)27-13-5-3-4-12(8-13)19(20,21)22/h3-5,8-9,11H,6-7H2,1-2H3.
What are the key properties of [3-(trifluoromethyl)phenyl] 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate?
[3-(trifluoromethyl)phenyl] 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 375.35 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl] 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 71899387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).