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

C24H21FN4O3 — CID 118666239

IUPAC[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(hydroxymethyl)indol-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(CO)cn(-c3ncc(-c4ccccc4F)cn3)c2c1)N1CCOCC1
InChIInChI=1S/C24H21FN4O3/c25-21-4-2-1-3-19(21)17-12-26-24(27-13-17)29-14-18(15-30)20-6-5-16(11-22(20)29)23(31)28-7-9-32-10-8-28/h1-6,11-14,30H,7-10,15H2
InChIKeyGARKOSYGJVQKAL-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.19
Rot. Bonds4

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

[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(hydroxymethyl)indol-6-yl]-morpholin-4-ylmethanone (PubChem CID 118666239) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(hydroxymethyl)indol-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(hydroxymethyl)indol-6-yl]-morpholin-4-ylmethanone
PubChem CID118666239
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(hydroxymethyl)indol-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(CO)cn(-c3ncc(-c4ccccc4F)cn3)c2c1)N1CCOCC1
InChIInChI=1S/C24H21FN4O3/c25-21-4-2-1-3-19(21)17-12-26-24(27-13-17)29-14-18(15-30)20-6-5-16(11-22(20)29)23(31)28-7-9-32-10-8-28/h1-6,11-14,30H,7-10,15H2
InChIKeyGARKOSYGJVQKAL-UHFFFAOYSA-N
XLogP3.19
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.19
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-(hydroxymethyl)indol-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(hydroxymethyl)indol-6-yl]-morpholin-4-ylmethanone (CID 118666239) is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(hydroxymethyl)indol-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(hydroxymethyl)indol-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(hydroxymethyl)indol-6-yl]-morpholin-4-ylmethanone is O=C(c1ccc2c(CO)cn(-c3ncc(-c4ccccc4F)cn3)c2c1)N1CCOCC1.
What is the InChIKey of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(hydroxymethyl)indol-6-yl]-morpholin-4-ylmethanone?
The InChIKey is GARKOSYGJVQKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c25-21-4-2-1-3-19(21)17-12-26-24(27-13-17)29-14-18(15-30)20-6-5-16(11-22(20)29)23(31)28-7-9-32-10-8-28/h1-6,11-14,30H,7-10,15H2.
What are the key properties of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(hydroxymethyl)indol-6-yl]-morpholin-4-ylmethanone?
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(hydroxymethyl)indol-6-yl]-morpholin-4-ylmethanone has a molecular weight of 432.46 g/mol, XLogP of 3.19, 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-(hydroxymethyl)indol-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118666239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).