WEHXMNDIPQHTMG-UHFFFAOYSA-N

C₁₉H₁₈N₆O — CID 71139410

About WEHXMNDIPQHTMG-UHFFFAOYSA-N

WEHXMNDIPQHTMG-UHFFFAOYSA-N (PubChem CID 71139410) has the molecular formula C₁₉H₁₈N₆O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-7H-pyrazolo[5,4-c][1,5]naphthyridin-6-amine.

Molecular Properties

• Compound Name: WEHXMNDIPQHTMG-UHFFFAOYSA-N
• PubChem CID: 71139410
• Molecular Formula: C₁₉H₁₈N₆O
• Molecular Weight: 346.39 g/mol
• Exact Mass: 346.15
• IUPAC Name: N-(4-morpholin-4-ylphenyl)-7H-pyrazolo[5,4-c][1,5]naphthyridin-6-amine
• SMILES: c1cnc2c(c1)nc(Nc1ccc(N3CCOCC3)cc1)c1[nH]ncc12
• InChI: InChI=1S/C19H18N6O/c1-2-16-17(20-7-1)15-12-21-24-18(15)19(23-16)22-13-3-5-14(6-4-13)25-8-10-26-11-9-25/h1-7,12H,8-11H2,(H,21,24)(H,22,23)
• InChIKey: WEHXMNDIPQHTMG-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 78.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.39
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of WEHXMNDIPQHTMG-UHFFFAOYSA-N?

The IUPAC name of WEHXMNDIPQHTMG-UHFFFAOYSA-N (CID 71139410) is N-(4-morpholin-4-ylphenyl)-7H-pyrazolo[5,4-c][1,5]naphthyridin-6-amine.

What is the SMILES notation for WEHXMNDIPQHTMG-UHFFFAOYSA-N?

The canonical SMILES for WEHXMNDIPQHTMG-UHFFFAOYSA-N is c1cnc2c(c1)nc(Nc1ccc(N3CCOCC3)cc1)c1[nH]ncc12.

What is the InChIKey of WEHXMNDIPQHTMG-UHFFFAOYSA-N?

The InChIKey is WEHXMNDIPQHTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-2-16-17(20-7-1)15-12-21-24-18(15)19(23-16)22-13-3-5-14(6-4-13)25-8-10-26-11-9-25/h1-7,12H,8-11H2,(H,21,24)(H,22,23).

What are the key properties of WEHXMNDIPQHTMG-UHFFFAOYSA-N?

WEHXMNDIPQHTMG-UHFFFAOYSA-N has a molecular weight of 346.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for WEHXMNDIPQHTMG-UHFFFAOYSA-N is sourced from PubChem (CID 71139410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71139410 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.