5-[1-(4-fluorobenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one

C31H28FN5O4 — CID 78323478

IUPAC5-[1-(4-fluorobenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
SMILESCn1cc(-c2cccc3c2CCN3C(=O)c2ccc(F)cc2)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1=O
InChIInChI=1S/C31H28FN5O4/c1-35-19-26(24-3-2-4-27-25(24)13-14-37(27)30(39)21-5-9-22(32)10-6-21)34-28(31(35)40)33-23-11-7-20(8-12-23)29(38)36-15-17-41-18-16-36/h2-12,19H,13-18H2,1H3,(H,33,34)
InChIKeyGBLXSYVQTKNTRI-UHFFFAOYSA-N
MW553.59 g/mol
LogP4.01
Rot. Bonds5

About 5-[1-(4-fluorobenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one

5-[1-(4-fluorobenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one (PubChem CID 78323478) has the molecular formula C31H28FN5O4 and a molecular weight of 553.59 g/mol. Its IUPAC name is 5-[1-(4-fluorobenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one.

Molecular Properties

Compound Name5-[1-(4-fluorobenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
PubChem CID78323478
Molecular FormulaC31H28FN5O4
Molecular Weight553.59 g/mol
Exact Mass553.21
IUPAC Name5-[1-(4-fluorobenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
SMILESCn1cc(-c2cccc3c2CCN3C(=O)c2ccc(F)cc2)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1=O
InChIInChI=1S/C31H28FN5O4/c1-35-19-26(24-3-2-4-27-25(24)13-14-37(27)30(39)21-5-9-22(32)10-6-21)34-28(31(35)40)33-23-11-7-20(8-12-23)29(38)36-15-17-41-18-16-36/h2-12,19H,13-18H2,1H3,(H,33,34)
InChIKeyGBLXSYVQTKNTRI-UHFFFAOYSA-N
XLogP4.01
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.59
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorobenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one?
The IUPAC name of 5-[1-(4-fluorobenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one (CID 78323478) is 5-[1-(4-fluorobenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one.
What is the SMILES notation for 5-[1-(4-fluorobenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one?
The canonical SMILES for 5-[1-(4-fluorobenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one is Cn1cc(-c2cccc3c2CCN3C(=O)c2ccc(F)cc2)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1=O.
What is the InChIKey of 5-[1-(4-fluorobenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one?
The InChIKey is GBLXSYVQTKNTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN5O4/c1-35-19-26(24-3-2-4-27-25(24)13-14-37(27)30(39)21-5-9-22(32)10-6-21)34-28(31(35)40)33-23-11-7-20(8-12-23)29(38)36-15-17-41-18-16-36/h2-12,19H,13-18H2,1H3,(H,33,34).
What are the key properties of 5-[1-(4-fluorobenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one?
5-[1-(4-fluorobenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one has a molecular weight of 553.59 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorobenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one is sourced from PubChem (CID 78323478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).