(5-bromo-3-pyrimidin-4-yl-1H-indol-2-yl)-morpholin-4-ylmethanone

C17H15BrN4O2 — CID 58221461

IUPAC(5-bromo-3-pyrimidin-4-yl-1H-indol-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1[nH]c2ccc(Br)cc2c1-c1ccncn1)N1CCOCC1
InChIInChI=1S/C17H15BrN4O2/c18-11-1-2-13-12(9-11)15(14-3-4-19-10-20-14)16(21-13)17(23)22-5-7-24-8-6-22/h1-4,9-10,21H,5-8H2
InChIKeyLHGWOIIPCMOTCI-UHFFFAOYSA-N
MW387.24 g/mol
LogP2.86
Rot. Bonds2

About (5-bromo-3-pyrimidin-4-yl-1H-indol-2-yl)-morpholin-4-ylmethanone

(5-bromo-3-pyrimidin-4-yl-1H-indol-2-yl)-morpholin-4-ylmethanone (PubChem CID 58221461) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is (5-bromo-3-pyrimidin-4-yl-1H-indol-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-bromo-3-pyrimidin-4-yl-1H-indol-2-yl)-morpholin-4-ylmethanone
PubChem CID58221461
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name(5-bromo-3-pyrimidin-4-yl-1H-indol-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1[nH]c2ccc(Br)cc2c1-c1ccncn1)N1CCOCC1
InChIInChI=1S/C17H15BrN4O2/c18-11-1-2-13-12(9-11)15(14-3-4-19-10-20-14)16(21-13)17(23)22-5-7-24-8-6-22/h1-4,9-10,21H,5-8H2
InChIKeyLHGWOIIPCMOTCI-UHFFFAOYSA-N
XLogP2.86
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyrimidin-4-yl-1H-indol-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-bromo-3-pyrimidin-4-yl-1H-indol-2-yl)-morpholin-4-ylmethanone (CID 58221461) is (5-bromo-3-pyrimidin-4-yl-1H-indol-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-bromo-3-pyrimidin-4-yl-1H-indol-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-bromo-3-pyrimidin-4-yl-1H-indol-2-yl)-morpholin-4-ylmethanone is O=C(c1[nH]c2ccc(Br)cc2c1-c1ccncn1)N1CCOCC1.
What is the InChIKey of (5-bromo-3-pyrimidin-4-yl-1H-indol-2-yl)-morpholin-4-ylmethanone?
The InChIKey is LHGWOIIPCMOTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c18-11-1-2-13-12(9-11)15(14-3-4-19-10-20-14)16(21-13)17(23)22-5-7-24-8-6-22/h1-4,9-10,21H,5-8H2.
What are the key properties of (5-bromo-3-pyrimidin-4-yl-1H-indol-2-yl)-morpholin-4-ylmethanone?
(5-bromo-3-pyrimidin-4-yl-1H-indol-2-yl)-morpholin-4-ylmethanone has a molecular weight of 387.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyrimidin-4-yl-1H-indol-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 58221461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).