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

C29H27FN6O — CID 53345938

IUPAC4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
SMILESFc1ccccc1-c1cc(-c2cncc(-c3cnn(CCCN4CCOCC4)c3)c2)c2cccnc2n1
InChIInChI=1S/C29H27FN6O/c30-27-7-2-1-5-25(27)28-16-26(24-6-3-8-32-29(24)34-28)22-15-21(17-31-18-22)23-19-33-36(20-23)10-4-9-35-11-13-37-14-12-35/h1-3,5-8,15-20H,4,9-14H2
InChIKeyVLFDOUAQXXAYCK-UHFFFAOYSA-N
MW494.57 g/mol
LogP5.08
Rot. Bonds7

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

4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine (PubChem CID 53345938) has the molecular formula C29H27FN6O and a molecular weight of 494.57 g/mol. Its IUPAC name is 4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
PubChem CID53345938
Molecular FormulaC29H27FN6O
Molecular Weight494.57 g/mol
Exact Mass494.22
IUPAC Name4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
SMILESFc1ccccc1-c1cc(-c2cncc(-c3cnn(CCCN4CCOCC4)c3)c2)c2cccnc2n1
InChIInChI=1S/C29H27FN6O/c30-27-7-2-1-5-25(27)28-16-26(24-6-3-8-32-29(24)34-28)22-15-21(17-31-18-22)23-19-33-36(20-23)10-4-9-35-11-13-37-14-12-35/h1-3,5-8,15-20H,4,9-14H2
InChIKeyVLFDOUAQXXAYCK-UHFFFAOYSA-N
XLogP5.08
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.57
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine (CID 53345938) is 4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine is Fc1ccccc1-c1cc(-c2cncc(-c3cnn(CCCN4CCOCC4)c3)c2)c2cccnc2n1.
What is the InChIKey of 4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?
The InChIKey is VLFDOUAQXXAYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN6O/c30-27-7-2-1-5-25(27)28-16-26(24-6-3-8-32-29(24)34-28)22-15-21(17-31-18-22)23-19-33-36(20-23)10-4-9-35-11-13-37-14-12-35/h1-3,5-8,15-20H,4,9-14H2.
What are the key properties of 4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?
4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine has a molecular weight of 494.57 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine is sourced from PubChem (CID 53345938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).