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

C32H28F3N5O4 — CID 78323476

IUPAC1-methyl-3-[4-(morpholine-4-carbonyl)anilino]-5-[1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroindol-4-yl]pyrazin-2-one
SMILESCn1cc(-c2cccc3c2CCN3C(=O)c2ccc(C(F)(F)F)cc2)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1=O
InChIInChI=1S/C32H28F3N5O4/c1-38-19-26(37-28(31(38)43)36-23-11-7-20(8-12-23)29(41)39-15-17-44-18-16-39)24-3-2-4-27-25(24)13-14-40(27)30(42)21-5-9-22(10-6-21)32(33,34)35/h2-12,19H,13-18H2,1H3,(H,36,37)
InChIKeyOWTFBYJYXXSJTH-UHFFFAOYSA-N
MW603.60 g/mol
LogP4.89
Rot. Bonds5

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

1-methyl-3-[4-(morpholine-4-carbonyl)anilino]-5-[1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroindol-4-yl]pyrazin-2-one (PubChem CID 78323476) has the molecular formula C32H28F3N5O4 and a molecular weight of 603.60 g/mol. Its IUPAC name is 1-methyl-3-[4-(morpholine-4-carbonyl)anilino]-5-[1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroindol-4-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-(morpholine-4-carbonyl)anilino]-5-[1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroindol-4-yl]pyrazin-2-one
PubChem CID78323476
Molecular FormulaC32H28F3N5O4
Molecular Weight603.60 g/mol
Exact Mass603.21
IUPAC Name1-methyl-3-[4-(morpholine-4-carbonyl)anilino]-5-[1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroindol-4-yl]pyrazin-2-one
SMILESCn1cc(-c2cccc3c2CCN3C(=O)c2ccc(C(F)(F)F)cc2)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1=O
InChIInChI=1S/C32H28F3N5O4/c1-38-19-26(37-28(31(38)43)36-23-11-7-20(8-12-23)29(41)39-15-17-44-18-16-39)24-3-2-4-27-25(24)13-14-40(27)30(42)21-5-9-22(10-6-21)32(33,34)35/h2-12,19H,13-18H2,1H3,(H,36,37)
InChIKeyOWTFBYJYXXSJTH-UHFFFAOYSA-N
XLogP4.89
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.60
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(morpholine-4-carbonyl)anilino]-5-[1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroindol-4-yl]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[4-(morpholine-4-carbonyl)anilino]-5-[1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroindol-4-yl]pyrazin-2-one (CID 78323476) is 1-methyl-3-[4-(morpholine-4-carbonyl)anilino]-5-[1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroindol-4-yl]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[4-(morpholine-4-carbonyl)anilino]-5-[1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroindol-4-yl]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[4-(morpholine-4-carbonyl)anilino]-5-[1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroindol-4-yl]pyrazin-2-one is Cn1cc(-c2cccc3c2CCN3C(=O)c2ccc(C(F)(F)F)cc2)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1=O.
What is the InChIKey of 1-methyl-3-[4-(morpholine-4-carbonyl)anilino]-5-[1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroindol-4-yl]pyrazin-2-one?
The InChIKey is OWTFBYJYXXSJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F3N5O4/c1-38-19-26(37-28(31(38)43)36-23-11-7-20(8-12-23)29(41)39-15-17-44-18-16-39)24-3-2-4-27-25(24)13-14-40(27)30(42)21-5-9-22(10-6-21)32(33,34)35/h2-12,19H,13-18H2,1H3,(H,36,37).
What are the key properties of 1-methyl-3-[4-(morpholine-4-carbonyl)anilino]-5-[1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroindol-4-yl]pyrazin-2-one?
1-methyl-3-[4-(morpholine-4-carbonyl)anilino]-5-[1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroindol-4-yl]pyrazin-2-one has a molecular weight of 603.60 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(morpholine-4-carbonyl)anilino]-5-[1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroindol-4-yl]pyrazin-2-one is sourced from PubChem (CID 78323476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).