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

C32H30FN5O4 — CID 90345366

IUPAC5-[1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
SMILESCc1ccc(C(=O)N2CCc3c(-c4cn(C)c(=O)c(Nc5ccc(C(=O)N6CCOCC6)cc5)n4)cccc32)cc1F
InChIInChI=1S/C32H30FN5O4/c1-20-6-7-22(18-26(20)33)31(40)38-13-12-25-24(4-3-5-28(25)38)27-19-36(2)32(41)29(35-27)34-23-10-8-21(9-11-23)30(39)37-14-16-42-17-15-37/h3-11,18-19H,12-17H2,1-2H3,(H,34,35)
InChIKeyGXOLZFOGXFTNDY-UHFFFAOYSA-N
MW567.62 g/mol
LogP4.31
Rot. Bonds5

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

5-[1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one (PubChem CID 90345366) has the molecular formula C32H30FN5O4 and a molecular weight of 567.62 g/mol. Its IUPAC name is 5-[1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one.

Molecular Properties

Compound Name5-[1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
PubChem CID90345366
Molecular FormulaC32H30FN5O4
Molecular Weight567.62 g/mol
Exact Mass567.23
IUPAC Name5-[1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
SMILESCc1ccc(C(=O)N2CCc3c(-c4cn(C)c(=O)c(Nc5ccc(C(=O)N6CCOCC6)cc5)n4)cccc32)cc1F
InChIInChI=1S/C32H30FN5O4/c1-20-6-7-22(18-26(20)33)31(40)38-13-12-25-24(4-3-5-28(25)38)27-19-36(2)32(41)29(35-27)34-23-10-8-21(9-11-23)30(39)37-14-16-42-17-15-37/h3-11,18-19H,12-17H2,1-2H3,(H,34,35)
InChIKeyGXOLZFOGXFTNDY-UHFFFAOYSA-N
XLogP4.31
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.62
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one?
The IUPAC name of 5-[1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one (CID 90345366) is 5-[1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one.
What is the SMILES notation for 5-[1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one?
The canonical SMILES for 5-[1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one is Cc1ccc(C(=O)N2CCc3c(-c4cn(C)c(=O)c(Nc5ccc(C(=O)N6CCOCC6)cc5)n4)cccc32)cc1F.
What is the InChIKey of 5-[1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one?
The InChIKey is GXOLZFOGXFTNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN5O4/c1-20-6-7-22(18-26(20)33)31(40)38-13-12-25-24(4-3-5-28(25)38)27-19-36(2)32(41)29(35-27)34-23-10-8-21(9-11-23)30(39)37-14-16-42-17-15-37/h3-11,18-19H,12-17H2,1-2H3,(H,34,35).
What are the key properties of 5-[1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one?
5-[1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one has a molecular weight of 567.62 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindol-4-yl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one is sourced from PubChem (CID 90345366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).