4-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine

C22H21N5O — CID 127043472

IUPAC4-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine
SMILESCn1cc(-c2ccc(-c3cncc4ccc(N5CCOCC5)nc34)cc2)cn1
InChIInChI=1S/C22H21N5O/c1-26-15-19(13-24-26)16-2-4-17(5-3-16)20-14-23-12-18-6-7-21(25-22(18)20)27-8-10-28-11-9-27/h2-7,12-15H,8-11H2,1H3
InChIKeyUBAGJSZELRSFGS-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.53
Rot. Bonds3

About 4-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine

4-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine (PubChem CID 127043472) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine
PubChem CID127043472
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name4-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine
SMILESCn1cc(-c2ccc(-c3cncc4ccc(N5CCOCC5)nc34)cc2)cn1
InChIInChI=1S/C22H21N5O/c1-26-15-19(13-24-26)16-2-4-17(5-3-16)20-14-23-12-18-6-7-21(25-22(18)20)27-8-10-28-11-9-27/h2-7,12-15H,8-11H2,1H3
InChIKeyUBAGJSZELRSFGS-UHFFFAOYSA-N
XLogP3.53
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine (CID 127043472) is 4-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine is Cn1cc(-c2ccc(-c3cncc4ccc(N5CCOCC5)nc34)cc2)cn1.
What is the InChIKey of 4-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine?
The InChIKey is UBAGJSZELRSFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-26-15-19(13-24-26)16-2-4-17(5-3-16)20-14-23-12-18-6-7-21(25-22(18)20)27-8-10-28-11-9-27/h2-7,12-15H,8-11H2,1H3.
What are the key properties of 4-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine?
4-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine has a molecular weight of 371.44 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 127043472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).