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

C26H25FN4O3 — CID 118666118

IUPAC[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indol-6-yl]-morpholin-4-ylmethanone
SMILESCC(C)(O)c1cn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C26H25FN4O3/c1-26(2,33)21-16-31(25-28-14-18(15-29-25)19-5-3-4-6-22(19)27)23-13-17(7-8-20(21)23)24(32)30-9-11-34-12-10-30/h3-8,13-16,33H,9-12H2,1-2H3
InChIKeyNXTIZGRGJMDSKC-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.93
Rot. Bonds4

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

[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indol-6-yl]-morpholin-4-ylmethanone (PubChem CID 118666118) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indol-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indol-6-yl]-morpholin-4-ylmethanone
PubChem CID118666118
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indol-6-yl]-morpholin-4-ylmethanone
SMILESCC(C)(O)c1cn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C26H25FN4O3/c1-26(2,33)21-16-31(25-28-14-18(15-29-25)19-5-3-4-6-22(19)27)23-13-17(7-8-20(21)23)24(32)30-9-11-34-12-10-30/h3-8,13-16,33H,9-12H2,1-2H3
InChIKeyNXTIZGRGJMDSKC-UHFFFAOYSA-N
XLogP3.93
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.93
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-(2-hydroxypropan-2-yl)indol-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indol-6-yl]-morpholin-4-ylmethanone (CID 118666118) is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indol-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indol-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indol-6-yl]-morpholin-4-ylmethanone is CC(C)(O)c1cn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12.
What is the InChIKey of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indol-6-yl]-morpholin-4-ylmethanone?
The InChIKey is NXTIZGRGJMDSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-26(2,33)21-16-31(25-28-14-18(15-29-25)19-5-3-4-6-22(19)27)23-13-17(7-8-20(21)23)24(32)30-9-11-34-12-10-30/h3-8,13-16,33H,9-12H2,1-2H3.
What are the key properties of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indol-6-yl]-morpholin-4-ylmethanone?
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-(2-hydroxypropan-2-yl)indol-6-yl]-morpholin-4-ylmethanone has a molecular weight of 460.51 g/mol, XLogP of 3.93, 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-(2-hydroxypropan-2-yl)indol-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118666118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).