4-[4-[4-(2,2,2-trifluoroethoxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine

C36H30F3N5O2 — CID 66825979

IUPAC4-[4-[4-(2,2,2-trifluoroethoxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESFC(F)(F)COc1nccc2c1c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H30F3N5O2/c37-35(38,39)25-46-34-32-30(17-19-41-34)44(42-33(32)26-16-18-40-31(24-26)43-20-22-45-23-21-43)36(27-10-4-1-5-11-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,24H,20-23,25H2
InChIKeyUUHLIFMDDLYODU-UHFFFAOYSA-N
MW621.66 g/mol
LogP7.11
Rot. Bonds8

About 4-[4-[4-(2,2,2-trifluoroethoxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine

4-[4-[4-(2,2,2-trifluoroethoxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine (PubChem CID 66825979) has the molecular formula C36H30F3N5O2 and a molecular weight of 621.66 g/mol. Its IUPAC name is 4-[4-[4-(2,2,2-trifluoroethoxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[4-(2,2,2-trifluoroethoxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
PubChem CID66825979
Molecular FormulaC36H30F3N5O2
Molecular Weight621.66 g/mol
Exact Mass621.24
IUPAC Name4-[4-[4-(2,2,2-trifluoroethoxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESFC(F)(F)COc1nccc2c1c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H30F3N5O2/c37-35(38,39)25-46-34-32-30(17-19-41-34)44(42-33(32)26-16-18-40-31(24-26)43-20-22-45-23-21-43)36(27-10-4-1-5-11-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,24H,20-23,25H2
InChIKeyUUHLIFMDDLYODU-UHFFFAOYSA-N
XLogP7.11
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.66
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2,2,2-trifluoroethoxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[4-(2,2,2-trifluoroethoxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine (CID 66825979) is 4-[4-[4-(2,2,2-trifluoroethoxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[4-(2,2,2-trifluoroethoxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[4-(2,2,2-trifluoroethoxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine is FC(F)(F)COc1nccc2c1c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[4-[4-(2,2,2-trifluoroethoxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The InChIKey is UUHLIFMDDLYODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30F3N5O2/c37-35(38,39)25-46-34-32-30(17-19-41-34)44(42-33(32)26-16-18-40-31(24-26)43-20-22-45-23-21-43)36(27-10-4-1-5-11-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,24H,20-23,25H2.
What are the key properties of 4-[4-[4-(2,2,2-trifluoroethoxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
4-[4-[4-(2,2,2-trifluoroethoxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine has a molecular weight of 621.66 g/mol, XLogP of 7.11, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2,2,2-trifluoroethoxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 66825979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).