[1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane

C23H23FN3OP — CID 129295566

IUPAC[1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane
SMILESCc1ccc(F)c(-c2cnc(N3CC4(COC4)c4ccc(P(C)C)cc43)nc2)c1
InChIInChI=1S/C23H23FN3OP/c1-15-4-7-20(24)18(8-15)16-10-25-22(26-11-16)27-12-23(13-28-14-23)19-6-5-17(29(2)3)9-21(19)27/h4-11H,12-14H2,1-3H3
InChIKeyKRRZEOXLDIBWJM-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.38
Rot. Bonds3

About [1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane

[1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane (PubChem CID 129295566) has the molecular formula C23H23FN3OP and a molecular weight of 407.43 g/mol. Its IUPAC name is [1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane.

Molecular Properties

Compound Name[1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane
PubChem CID129295566
Molecular FormulaC23H23FN3OP
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC Name[1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane
SMILESCc1ccc(F)c(-c2cnc(N3CC4(COC4)c4ccc(P(C)C)cc43)nc2)c1
InChIInChI=1S/C23H23FN3OP/c1-15-4-7-20(24)18(8-15)16-10-25-22(26-11-16)27-12-23(13-28-14-23)19-6-5-17(29(2)3)9-21(19)27/h4-11H,12-14H2,1-3H3
InChIKeyKRRZEOXLDIBWJM-UHFFFAOYSA-N
XLogP4.38
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane?
The IUPAC name of [1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane (CID 129295566) is [1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane.
What is the SMILES notation for [1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane?
The canonical SMILES for [1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane is Cc1ccc(F)c(-c2cnc(N3CC4(COC4)c4ccc(P(C)C)cc43)nc2)c1.
What is the InChIKey of [1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane?
The InChIKey is KRRZEOXLDIBWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN3OP/c1-15-4-7-20(24)18(8-15)16-10-25-22(26-11-16)27-12-23(13-28-14-23)19-6-5-17(29(2)3)9-21(19)27/h4-11H,12-14H2,1-3H3.
What are the key properties of [1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane?
[1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane has a molecular weight of 407.43 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane is sourced from PubChem (CID 129295566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).