phenyl 2-[[5-cyclopropyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate

C24H19F3N4O3 — CID 118443069

IUPACphenyl 2-[[5-cyclopropyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate
SMILESO=C(Oc1ccccc1)c1nccc2nn(Cc3cnc(OCC(F)(F)F)c(C4CC4)c3)cc12
InChIInChI=1S/C24H19F3N4O3/c25-24(26,27)14-33-22-18(16-6-7-16)10-15(11-29-22)12-31-13-19-20(30-31)8-9-28-21(19)23(32)34-17-4-2-1-3-5-17/h1-5,8-11,13,16H,6-7,12,14H2
InChIKeyBDGLQBUGRBARQO-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.91
Rot. Bonds7

About phenyl 2-[[5-cyclopropyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate

phenyl 2-[[5-cyclopropyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate (PubChem CID 118443069) has the molecular formula C24H19F3N4O3 and a molecular weight of 468.44 g/mol. Its IUPAC name is phenyl 2-[[5-cyclopropyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namephenyl 2-[[5-cyclopropyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate
PubChem CID118443069
Molecular FormulaC24H19F3N4O3
Molecular Weight468.44 g/mol
Exact Mass468.14
IUPAC Namephenyl 2-[[5-cyclopropyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate
SMILESO=C(Oc1ccccc1)c1nccc2nn(Cc3cnc(OCC(F)(F)F)c(C4CC4)c3)cc12
InChIInChI=1S/C24H19F3N4O3/c25-24(26,27)14-33-22-18(16-6-7-16)10-15(11-29-22)12-31-13-19-20(30-31)8-9-28-21(19)23(32)34-17-4-2-1-3-5-17/h1-5,8-11,13,16H,6-7,12,14H2
InChIKeyBDGLQBUGRBARQO-UHFFFAOYSA-N
XLogP4.91
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-[[5-cyclopropyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate?
The IUPAC name of phenyl 2-[[5-cyclopropyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate (CID 118443069) is phenyl 2-[[5-cyclopropyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate.
What is the SMILES notation for phenyl 2-[[5-cyclopropyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate?
The canonical SMILES for phenyl 2-[[5-cyclopropyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate is O=C(Oc1ccccc1)c1nccc2nn(Cc3cnc(OCC(F)(F)F)c(C4CC4)c3)cc12.
What is the InChIKey of phenyl 2-[[5-cyclopropyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate?
The InChIKey is BDGLQBUGRBARQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3/c25-24(26,27)14-33-22-18(16-6-7-16)10-15(11-29-22)12-31-13-19-20(30-31)8-9-28-21(19)23(32)34-17-4-2-1-3-5-17/h1-5,8-11,13,16H,6-7,12,14H2.
What are the key properties of phenyl 2-[[5-cyclopropyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate?
phenyl 2-[[5-cyclopropyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate has a molecular weight of 468.44 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[[5-cyclopropyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 118443069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).