[1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone

C26H25FN4O3 — CID 118659968

IUPAC[1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(F)c(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1
InChIInChI=1S/C26H25FN4O3/c1-33-19-3-5-22(27)20(13-19)18-14-28-25(29-15-18)31-16-26(6-7-26)21-4-2-17(12-23(21)31)24(32)30-8-10-34-11-9-30/h2-5,12-15H,6-11,16H2,1H3
InChIKeyTVLGHTXOENYQFS-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.95
Rot. Bonds4

About [1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone

[1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (PubChem CID 118659968) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is [1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
PubChem CID118659968
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC Name[1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(F)c(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1
InChIInChI=1S/C26H25FN4O3/c1-33-19-3-5-22(27)20(13-19)18-14-28-25(29-15-18)31-16-26(6-7-26)21-4-2-17(12-23(21)31)24(32)30-8-10-34-11-9-30/h2-5,12-15H,6-11,16H2,1H3
InChIKeyTVLGHTXOENYQFS-UHFFFAOYSA-N
XLogP3.95
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (CID 118659968) is [1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is COc1ccc(F)c(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1.
What is the InChIKey of [1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The InChIKey is TVLGHTXOENYQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-33-19-3-5-22(27)20(13-19)18-14-28-25(29-15-18)31-16-26(6-7-26)21-4-2-17(12-23(21)31)24(32)30-8-10-34-11-9-30/h2-5,12-15H,6-11,16H2,1H3.
What are the key properties of [1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
[1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone has a molecular weight of 460.51 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-fluoro-5-methoxyphenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118659968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).