[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[3,5-difluoro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]-6-methoxyindazol-1-yl]-iodophosphane

C27H25Cl2F2IN5O4PS — CID 174340240

About [5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[3,5-difluoro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]-6-methoxyindazol-1-yl]-iodophosphane

[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[3,5-difluoro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]-6-methoxyindazol-1-yl]-iodophosphane (PubChem CID 174340240) has the molecular formula C27H25Cl2F2IN5O4PS and a molecular weight of 782.37 g/mol. Its IUPAC name is [5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[3,5-difluoro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]-6-methoxyindazol-1-yl]-iodophosphane.

Molecular Properties

• Compound Name: [5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[3,5-difluoro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]-6-methoxyindazol-1-yl]-iodophosphane
• PubChem CID: 174340240
• Molecular Formula: C27H25Cl2F2IN5O4PS
• Molecular Weight: 782.37 g/mol
• Exact Mass: 780.98
• IUPAC Name: [5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[3,5-difluoro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]-6-methoxyindazol-1-yl]-iodophosphane
• SMILES: COc1cc2c(cc1O[C@H](C)c1c(Cl)cncc1Cl)c(-c1cc(F)c(N3CC4(C3)CN(S(C)(=O)=O)C4)c(F)c1)nn2PI
• InChI: InChI=1S/C27H25Cl2F2IN5O4PS/c1-14(24-17(28)8-33-9-18(24)29)41-23-6-16-21(7-22(23)40-2)37(42-32)34-25(16)15-4-19(30)26(20(31)5-15)35-10-27(11-35)12-36(13-27)43(3,38)39/h4-9,14,42H,10-13H2,1-3H3/t14-/m1/s1
• InChIKey: GIZHSEYXWAQPJN-CQSZACIVSA-N
• XLogP: 6.71
• TPSA: 89.79 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.37
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	0
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 [5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[3,5-difluoro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]-6-methoxyindazol-1-yl]-iodophosphane?

The IUPAC name of [5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[3,5-difluoro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]-6-methoxyindazol-1-yl]-iodophosphane (CID 174340240) is [5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[3,5-difluoro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]-6-methoxyindazol-1-yl]-iodophosphane.

What is the SMILES notation for [5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[3,5-difluoro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]-6-methoxyindazol-1-yl]-iodophosphane?

The canonical SMILES for [5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[3,5-difluoro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]-6-methoxyindazol-1-yl]-iodophosphane is COc1cc2c(cc1O[C@H](C)c1c(Cl)cncc1Cl)c(-c1cc(F)c(N3CC4(C3)CN(S(C)(=O)=O)C4)c(F)c1)nn2PI.

What is the InChIKey of [5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[3,5-difluoro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]-6-methoxyindazol-1-yl]-iodophosphane?

The InChIKey is GIZHSEYXWAQPJN-CQSZACIVSA-N. The full InChI is InChI=1S/C27H25Cl2F2IN5O4PS/c1-14(24-17(28)8-33-9-18(24)29)41-23-6-16-21(7-22(23)40-2)37(42-32)34-25(16)15-4-19(30)26(20(31)5-15)35-10-27(11-35)12-36(13-27)43(3,38)39/h4-9,14,42H,10-13H2,1-3H3/t14-/m1/s1.

What are the key properties of [5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[3,5-difluoro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]-6-methoxyindazol-1-yl]-iodophosphane?

[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[3,5-difluoro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]-6-methoxyindazol-1-yl]-iodophosphane has a molecular weight of 782.37 g/mol, XLogP of 6.71, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[3,5-difluoro-4-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]-6-methoxyindazol-1-yl]-iodophosphane is sourced from PubChem (CID 174340240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).