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

C17H16F3N5O2 — CID 66825582

IUPAC4-[4-[4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESFC(F)(F)COc1nccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c12
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)10-27-16-14-12(2-4-22-16)23-24-15(14)11-1-3-21-13(9-11)25-5-7-26-8-6-25/h1-4,9H,5-8,10H2,(H,23,24)
InChIKeyXZYUQDWDBKIDHU-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.80
Rot. Bonds4

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

4-[4-[4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine (PubChem CID 66825582) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is 4-[4-[4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
PubChem CID66825582
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC Name4-[4-[4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESFC(F)(F)COc1nccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c12
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)10-27-16-14-12(2-4-22-16)23-24-15(14)11-1-3-21-13(9-11)25-5-7-26-8-6-25/h1-4,9H,5-8,10H2,(H,23,24)
InChIKeyXZYUQDWDBKIDHU-UHFFFAOYSA-N
XLogP2.80
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine (CID 66825582) is 4-[4-[4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine is FC(F)(F)COc1nccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c12.
What is the InChIKey of 4-[4-[4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The InChIKey is XZYUQDWDBKIDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c18-17(19,20)10-27-16-14-12(2-4-22-16)23-24-15(14)11-1-3-21-13(9-11)25-5-7-26-8-6-25/h1-4,9H,5-8,10H2,(H,23,24).
What are the key properties of 4-[4-[4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
4-[4-[4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine has a molecular weight of 379.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 66825582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).