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

C25H23FN4O3 — CID 118660251

IUPAC[1-[5-(2-fluorophenoxy)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(c1)N(c1ncc(Oc3ccccc3F)cn1)CC21CC1)N1CCOCC1
InChIInChI=1S/C25H23FN4O3/c26-20-3-1-2-4-22(20)33-18-14-27-24(28-15-18)30-16-25(7-8-25)19-6-5-17(13-21(19)30)23(31)29-9-11-32-12-10-29/h1-6,13-15H,7-12,16H2
InChIKeyJLWZUSUKJRYMOX-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.06
Rot. Bonds4

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

[1-[5-(2-fluorophenoxy)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (PubChem CID 118660251) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is [1-[5-(2-fluorophenoxy)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(2-fluorophenoxy)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
PubChem CID118660251
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name[1-[5-(2-fluorophenoxy)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(c1)N(c1ncc(Oc3ccccc3F)cn1)CC21CC1)N1CCOCC1
InChIInChI=1S/C25H23FN4O3/c26-20-3-1-2-4-22(20)33-18-14-27-24(28-15-18)30-16-25(7-8-25)19-6-5-17(13-21(19)30)23(31)29-9-11-32-12-10-29/h1-6,13-15H,7-12,16H2
InChIKeyJLWZUSUKJRYMOX-UHFFFAOYSA-N
XLogP4.06
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-fluorophenoxy)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(2-fluorophenoxy)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (CID 118660251) is [1-[5-(2-fluorophenoxy)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(2-fluorophenoxy)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(2-fluorophenoxy)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is O=C(c1ccc2c(c1)N(c1ncc(Oc3ccccc3F)cn1)CC21CC1)N1CCOCC1.
What is the InChIKey of [1-[5-(2-fluorophenoxy)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The InChIKey is JLWZUSUKJRYMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c26-20-3-1-2-4-22(20)33-18-14-27-24(28-15-18)30-16-25(7-8-25)19-6-5-17(13-21(19)30)23(31)29-9-11-32-12-10-29/h1-6,13-15H,7-12,16H2.
What are the key properties of [1-[5-(2-fluorophenoxy)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
[1-[5-(2-fluorophenoxy)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone has a molecular weight of 446.48 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-fluorophenoxy)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118660251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).