[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indol-6-yl]-morpholin-4-ylmethanone

C25H23FN4O3 — CID 118666316

IUPAC[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indol-6-yl]-morpholin-4-ylmethanone
SMILESCC(O)c1cn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C25H23FN4O3/c1-16(31)21-15-30(25-27-13-18(14-28-25)19-4-2-3-5-22(19)26)23-12-17(6-7-20(21)23)24(32)29-8-10-33-11-9-29/h2-7,12-16,31H,8-11H2,1H3
InChIKeyPJNJOIQVQXXKLQ-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.75
Rot. Bonds4

About [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indol-6-yl]-morpholin-4-ylmethanone

[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indol-6-yl]-morpholin-4-ylmethanone (PubChem CID 118666316) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indol-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indol-6-yl]-morpholin-4-ylmethanone
PubChem CID118666316
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indol-6-yl]-morpholin-4-ylmethanone
SMILESCC(O)c1cn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C25H23FN4O3/c1-16(31)21-15-30(25-27-13-18(14-28-25)19-4-2-3-5-22(19)26)23-12-17(6-7-20(21)23)24(32)29-8-10-33-11-9-29/h2-7,12-16,31H,8-11H2,1H3
InChIKeyPJNJOIQVQXXKLQ-UHFFFAOYSA-N
XLogP3.75
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indol-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indol-6-yl]-morpholin-4-ylmethanone (CID 118666316) is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indol-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indol-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indol-6-yl]-morpholin-4-ylmethanone is CC(O)c1cn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12.
What is the InChIKey of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indol-6-yl]-morpholin-4-ylmethanone?
The InChIKey is PJNJOIQVQXXKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-16(31)21-15-30(25-27-13-18(14-28-25)19-4-2-3-5-22(19)26)23-12-17(6-7-20(21)23)24(32)29-8-10-33-11-9-29/h2-7,12-16,31H,8-11H2,1H3.
What are the key properties of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indol-6-yl]-morpholin-4-ylmethanone?
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indol-6-yl]-morpholin-4-ylmethanone has a molecular weight of 446.48 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indol-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118666316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).