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

C22H21FN3OP — CID 129282461

IUPAC[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane
SMILESCP(C)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21COC1
InChIInChI=1S/C22H21FN3OP/c1-28(2)16-7-8-18-20(9-16)26(12-22(18)13-27-14-22)21-24-10-15(11-25-21)17-5-3-4-6-19(17)23/h3-11H,12-14H2,1-2H3
InChIKeyQHFQEEQBQOKZJY-UHFFFAOYSA-N
MW393.40 g/mol
LogP4.07
Rot. Bonds3

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

[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane (PubChem CID 129282461) has the molecular formula C22H21FN3OP and a molecular weight of 393.40 g/mol. Its IUPAC name is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane.

Molecular Properties

Compound Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane
PubChem CID129282461
Molecular FormulaC22H21FN3OP
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane
SMILESCP(C)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21COC1
InChIInChI=1S/C22H21FN3OP/c1-28(2)16-7-8-18-20(9-16)26(12-22(18)13-27-14-22)21-24-10-15(11-25-21)17-5-3-4-6-19(17)23/h3-11H,12-14H2,1-2H3
InChIKeyQHFQEEQBQOKZJY-UHFFFAOYSA-N
XLogP4.07
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1'-(oxan-4-yl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]
CID 97503938
1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]
CID 118742596
1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N,N-dimethylspiro[2H-indole-3,3'-oxetane]-6-carboxamide
CID 129282269
6-dimethylphosphoryl-1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]
CID 129282318
6-dimethylphosphoryl-1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]
CID 129282323
6-ethylsulfonyl-1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]
CID 129295445
6-ethylsulfanyl-1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]
CID 129295446
6-ethylsulfinyl-1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]
CID 129295501
6-ethylsulfonyl-1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]
CID 129295504
6-ethylsulfanyl-1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]
CID 129295506
2-[[1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]sulfanyl-methylamino]ethanol
CID 129295514
1-[5-(4-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-carbaldehyde
CID 129295550

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane?
The IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane (CID 129282461) is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane.
What is the SMILES notation for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane?
The canonical SMILES for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane is CP(C)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21COC1.
What is the InChIKey of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane?
The InChIKey is QHFQEEQBQOKZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN3OP/c1-28(2)16-7-8-18-20(9-16)26(12-22(18)13-27-14-22)21-24-10-15(11-25-21)17-5-3-4-6-19(17)23/h3-11H,12-14H2,1-2H3.
What are the key properties of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane?
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane has a molecular weight of 393.40 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-dimethylphosphane is sourced from PubChem (CID 129282461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).