4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C22H21ClN6O2 — CID 122585593

About 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 122585593) has the molecular formula C22H21ClN6O2 and a molecular weight of 436.90 g/mol. Its IUPAC name is 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

• Compound Name: 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
• PubChem CID: 122585593
• Molecular Formula: C22H21ClN6O2
• Molecular Weight: 436.90 g/mol
• Exact Mass: 436.14
• IUPAC Name: 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
• SMILES: CCOc1ncc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1Cl
• InChI: InChI=1S/C22H21ClN6O2/c1-2-31-22-17(23)11-14(13-25-22)16-12-19(29-7-9-30-10-8-29)27-20-15(16)3-5-24-21(20)18-4-6-26-28-18/h3-6,11-13H,2,7-10H2,1H3,(H,26,28)
• InChIKey: VCKDUBANHUKQNV-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 89.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.90
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?

The IUPAC name of 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 122585593) is 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

What is the SMILES notation for 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?

The canonical SMILES for 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is CCOc1ncc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1Cl.

What is the InChIKey of 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?

The InChIKey is VCKDUBANHUKQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O2/c1-2-31-22-17(23)11-14(13-25-22)16-12-19(29-7-9-30-10-8-29)27-20-15(16)3-5-24-21(20)18-4-6-26-28-18/h3-6,11-13H,2,7-10H2,1H3,(H,26,28).

What are the key properties of 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?

4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 436.90 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 122585593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).