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

C21H24ClN5O2 — CID 134446399

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

4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 134446399) has the molecular formula C21H24ClN5O2 and a molecular weight of 413.91 g/mol. Its IUPAC name is 4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

• Compound Name: 4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
• PubChem CID: 134446399
• Molecular Formula: C21H24ClN5O2
• Molecular Weight: 413.91 g/mol
• Exact Mass: 413.16
• IUPAC Name: 4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
• SMILES: CC1COCCN1c1cc(Cl)c2ccnc(-c3ccnn3C3CCCCO3)c2n1
• InChI: InChI=1S/C21H24ClN5O2/c1-14-13-28-11-9-26(14)18-12-16(22)15-5-7-23-21(20(15)25-18)17-6-8-24-27(17)19-4-2-3-10-29-19/h5-8,12,14,19H,2-4,9-11,13H2,1H3
• InChIKey: KEYDGNKCBAEOJP-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 65.30 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.91
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?

The IUPAC name of 4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 134446399) is 4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine.

What is the SMILES notation for 4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?

The canonical SMILES for 4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is CC1COCCN1c1cc(Cl)c2ccnc(-c3ccnn3C3CCCCO3)c2n1.

What is the InChIKey of 4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?

The InChIKey is KEYDGNKCBAEOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O2/c1-14-13-28-11-9-26(14)18-12-16(22)15-5-7-23-21(20(15)25-18)17-6-8-24-27(17)19-4-2-3-10-29-19/h5-8,12,14,19H,2-4,9-11,13H2,1H3.

What are the key properties of 4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine?

4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 413.91 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 134446399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).