4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine

C28H24ClFN6O — CID 53345071

IUPAC4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(CCN4CCOCC4)c3)c2)c2cccnc2n1
InChIInChI=1S/C28H24ClFN6O/c29-22-3-4-26(30)25(13-22)27-14-24(23-2-1-5-32-28(23)34-27)20-12-19(15-31-16-20)21-17-33-36(18-21)7-6-35-8-10-37-11-9-35/h1-5,12-18H,6-11H2
InChIKeyODRFTCHUFVFPCS-UHFFFAOYSA-N
MW514.99 g/mol
LogP5.35
Rot. Bonds6

About 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine

4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 53345071) has the molecular formula C28H24ClFN6O and a molecular weight of 514.99 g/mol. Its IUPAC name is 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine
PubChem CID53345071
Molecular FormulaC28H24ClFN6O
Molecular Weight514.99 g/mol
Exact Mass514.17
IUPAC Name4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(CCN4CCOCC4)c3)c2)c2cccnc2n1
InChIInChI=1S/C28H24ClFN6O/c29-22-3-4-26(30)25(13-22)27-14-24(23-2-1-5-32-28(23)34-27)20-12-19(15-31-16-20)21-17-33-36(18-21)7-6-35-8-10-37-11-9-35/h1-5,12-18H,6-11H2
InChIKeyODRFTCHUFVFPCS-UHFFFAOYSA-N
XLogP5.35
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.99
LogP ≤ 55.35
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-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine (CID 53345071) is 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine is Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(CCN4CCOCC4)c3)c2)c2cccnc2n1.
What is the InChIKey of 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine?
The InChIKey is ODRFTCHUFVFPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN6O/c29-22-3-4-26(30)25(13-22)27-14-24(23-2-1-5-32-28(23)34-27)20-12-19(15-31-16-20)21-17-33-36(18-21)7-6-35-8-10-37-11-9-35/h1-5,12-18H,6-11H2.
What are the key properties of 4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 514.99 g/mol, XLogP of 5.35, 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-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 53345071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).