5-(5-fluoropyrimidin-2-yl)oxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide

C25H29FN4O4 — CID 11677118

IUPAC5-(5-fluoropyrimidin-2-yl)oxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
SMILESCN(CCN1CCCC1)C(=O)C1CCC2(CC1)OC(=O)c1cc(Oc3ncc(F)cn3)ccc12
InChIInChI=1S/C25H29FN4O4/c1-29(12-13-30-10-2-3-11-30)22(31)17-6-8-25(9-7-17)21-5-4-19(14-20(21)23(32)34-25)33-24-27-15-18(26)16-28-24/h4-5,14-17H,2-3,6-13H2,1H3
InChIKeyZRLOCRLJCRPEGI-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.52
Rot. Bonds6

About 5-(5-fluoropyrimidin-2-yl)oxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide

5-(5-fluoropyrimidin-2-yl)oxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (PubChem CID 11677118) has the molecular formula C25H29FN4O4 and a molecular weight of 468.53 g/mol. Its IUPAC name is 5-(5-fluoropyrimidin-2-yl)oxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.

Molecular Properties

Compound Name5-(5-fluoropyrimidin-2-yl)oxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
PubChem CID11677118
Molecular FormulaC25H29FN4O4
Molecular Weight468.53 g/mol
Exact Mass468.22
IUPAC Name5-(5-fluoropyrimidin-2-yl)oxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
SMILESCN(CCN1CCCC1)C(=O)C1CCC2(CC1)OC(=O)c1cc(Oc3ncc(F)cn3)ccc12
InChIInChI=1S/C25H29FN4O4/c1-29(12-13-30-10-2-3-11-30)22(31)17-6-8-25(9-7-17)21-5-4-19(14-20(21)23(32)34-25)33-24-27-15-18(26)16-28-24/h4-5,14-17H,2-3,6-13H2,1H3
InChIKeyZRLOCRLJCRPEGI-UHFFFAOYSA-N
XLogP3.52
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoropyrimidin-2-yl)oxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The IUPAC name of 5-(5-fluoropyrimidin-2-yl)oxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (CID 11677118) is 5-(5-fluoropyrimidin-2-yl)oxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.
What is the SMILES notation for 5-(5-fluoropyrimidin-2-yl)oxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The canonical SMILES for 5-(5-fluoropyrimidin-2-yl)oxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide is CN(CCN1CCCC1)C(=O)C1CCC2(CC1)OC(=O)c1cc(Oc3ncc(F)cn3)ccc12.
What is the InChIKey of 5-(5-fluoropyrimidin-2-yl)oxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The InChIKey is ZRLOCRLJCRPEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O4/c1-29(12-13-30-10-2-3-11-30)22(31)17-6-8-25(9-7-17)21-5-4-19(14-20(21)23(32)34-25)33-24-27-15-18(26)16-28-24/h4-5,14-17H,2-3,6-13H2,1H3.
What are the key properties of 5-(5-fluoropyrimidin-2-yl)oxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
5-(5-fluoropyrimidin-2-yl)oxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide has a molecular weight of 468.53 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoropyrimidin-2-yl)oxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide is sourced from PubChem (CID 11677118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).