4-[4-ethoxy-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine

C22H27N5O3 — CID 118869463

IUPAC4-[4-ethoxy-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
SMILESCCOc1cc(N2CCOCC2)nc2c(-c3ccnn3C3CCCCO3)nccc12
InChIInChI=1S/C22H27N5O3/c1-2-29-18-15-19(26-10-13-28-14-11-26)25-21-16(18)6-8-23-22(21)17-7-9-24-27(17)20-5-3-4-12-30-20/h6-9,15,20H,2-5,10-14H2,1H3
InChIKeyMOYAQYGQKWNKLT-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.43
Rot. Bonds5

About 4-[4-ethoxy-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine

4-[4-ethoxy-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869463) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-[4-ethoxy-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-ethoxy-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869463
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name4-[4-ethoxy-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
SMILESCCOc1cc(N2CCOCC2)nc2c(-c3ccnn3C3CCCCO3)nccc12
InChIInChI=1S/C22H27N5O3/c1-2-29-18-15-19(26-10-13-28-14-11-26)25-21-16(18)6-8-23-22(21)17-7-9-24-27(17)20-5-3-4-12-30-20/h6-9,15,20H,2-5,10-14H2,1H3
InChIKeyMOYAQYGQKWNKLT-UHFFFAOYSA-N
XLogP3.43
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-ethoxy-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-ethoxy-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine (CID 118869463) is 4-[4-ethoxy-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-ethoxy-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-ethoxy-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine is CCOc1cc(N2CCOCC2)nc2c(-c3ccnn3C3CCCCO3)nccc12.
What is the InChIKey of 4-[4-ethoxy-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is MOYAQYGQKWNKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-2-29-18-15-19(26-10-13-28-14-11-26)25-21-16(18)6-8-23-22(21)17-7-9-24-27(17)20-5-3-4-12-30-20/h6-9,15,20H,2-5,10-14H2,1H3.
What are the key properties of 4-[4-ethoxy-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine?
4-[4-ethoxy-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 409.49 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethoxy-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).