4-[2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine

C29H24F4N6O — CID 53345182

IUPAC4-[2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine
SMILESFc1ccc(C(F)(F)F)cc1-c1cc(-c2cncc(-c3cnn(CCN4CCOCC4)c3)c2)c2cccnc2n1
InChIInChI=1S/C29H24F4N6O/c30-26-4-3-22(29(31,32)33)13-25(26)27-14-24(23-2-1-5-35-28(23)37-27)20-12-19(15-34-16-20)21-17-36-39(18-21)7-6-38-8-10-40-11-9-38/h1-5,12-18H,6-11H2
InChIKeyWCVUQGTVPMMSSB-UHFFFAOYSA-N
MW548.54 g/mol
LogP5.71
Rot. Bonds6

About 4-[2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine

4-[2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 53345182) has the molecular formula C29H24F4N6O and a molecular weight of 548.54 g/mol. Its IUPAC name is 4-[2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine
PubChem CID53345182
Molecular FormulaC29H24F4N6O
Molecular Weight548.54 g/mol
Exact Mass548.19
IUPAC Name4-[2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine
SMILESFc1ccc(C(F)(F)F)cc1-c1cc(-c2cncc(-c3cnn(CCN4CCOCC4)c3)c2)c2cccnc2n1
InChIInChI=1S/C29H24F4N6O/c30-26-4-3-22(29(31,32)33)13-25(26)27-14-24(23-2-1-5-35-28(23)37-27)20-12-19(15-34-16-20)21-17-36-39(18-21)7-6-38-8-10-40-11-9-38/h1-5,12-18H,6-11H2
InChIKeyWCVUQGTVPMMSSB-UHFFFAOYSA-N
XLogP5.71
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.54
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine (CID 53345182) is 4-[2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine is Fc1ccc(C(F)(F)F)cc1-c1cc(-c2cncc(-c3cnn(CCN4CCOCC4)c3)c2)c2cccnc2n1.
What is the InChIKey of 4-[2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine?
The InChIKey is WCVUQGTVPMMSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F4N6O/c30-26-4-3-22(29(31,32)33)13-25(26)27-14-24(23-2-1-5-35-28(23)37-27)20-12-19(15-34-16-20)21-17-36-39(18-21)7-6-38-8-10-40-11-9-38/h1-5,12-18H,6-11H2.
What are the key properties of 4-[2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 548.54 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[5-[2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 53345182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).