N-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-iodophosphanylindazol-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide

C25H24Cl2IN6O3P — CID 135300996

About N-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-iodophosphanylindazol-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide

N-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-iodophosphanylindazol-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide (PubChem CID 135300996) has the molecular formula C25H24Cl2IN6O3P and a molecular weight of 685.29 g/mol. Its IUPAC name is N-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-iodophosphanylindazol-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide.

Molecular Properties

• Compound Name: N-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-iodophosphanylindazol-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide
• PubChem CID: 135300996
• Molecular Formula: C25H24Cl2IN6O3P
• Molecular Weight: 685.29 g/mol
• Exact Mass: 684.01
• IUPAC Name: N-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-iodophosphanylindazol-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide
• SMILES: CC(Oc1ccc2c(c1)c(-c1ccc(NC(=O)CN3CCOCC3)nc1)nn2PI)c1c(Cl)cncc1Cl
• InChI: InChI=1S/C25H24Cl2IN6O3P/c1-15(24-19(26)12-29-13-20(24)27)37-17-3-4-21-18(10-17)25(32-34(21)38-28)16-2-5-22(30-11-16)31-23(35)14-33-6-8-36-9-7-33/h2-5,10-13,15,38H,6-9,14H2,1H3,(H,30,31,35)
• InChIKey: PALWEUHCVYOIMI-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 94.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.29
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-iodophosphanylindazol-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide?

The IUPAC name of N-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-iodophosphanylindazol-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide (CID 135300996) is N-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-iodophosphanylindazol-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide.

What is the SMILES notation for N-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-iodophosphanylindazol-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide?

The canonical SMILES for N-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-iodophosphanylindazol-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide is CC(Oc1ccc2c(c1)c(-c1ccc(NC(=O)CN3CCOCC3)nc1)nn2PI)c1c(Cl)cncc1Cl.

What is the InChIKey of N-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-iodophosphanylindazol-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide?

The InChIKey is PALWEUHCVYOIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2IN6O3P/c1-15(24-19(26)12-29-13-20(24)27)37-17-3-4-21-18(10-17)25(32-34(21)38-28)16-2-5-22(30-11-16)31-23(35)14-33-6-8-36-9-7-33/h2-5,10-13,15,38H,6-9,14H2,1H3,(H,30,31,35).

What are the key properties of N-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-iodophosphanylindazol-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide?

N-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-iodophosphanylindazol-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide has a molecular weight of 685.29 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-iodophosphanylindazol-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 135300996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).