4-cyclopropyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide

C33H33N5O4 — CID 66895259

IUPAC4-cyclopropyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
SMILESCc1c(NC(=O)c2ccc(C3CC3)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C33H33N5O4/c1-21-27(4-3-5-28(21)36-31(39)24-10-8-23(9-11-24)22-6-7-22)29-20-37(2)33(41)30(35-29)34-26-14-12-25(13-15-26)32(40)38-16-18-42-19-17-38/h3-5,8-15,20,22H,6-7,16-19H2,1-2H3,(H,34,35)(H,36,39)
InChIKeyIUGSXHDXHDIVQO-UHFFFAOYSA-N
MW563.66 g/mol
LogP5.10
Rot. Bonds7

About 4-cyclopropyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide

4-cyclopropyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide (PubChem CID 66895259) has the molecular formula C33H33N5O4 and a molecular weight of 563.66 g/mol. Its IUPAC name is 4-cyclopropyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
PubChem CID66895259
Molecular FormulaC33H33N5O4
Molecular Weight563.66 g/mol
Exact Mass563.25
IUPAC Name4-cyclopropyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
SMILESCc1c(NC(=O)c2ccc(C3CC3)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C33H33N5O4/c1-21-27(4-3-5-28(21)36-31(39)24-10-8-23(9-11-24)22-6-7-22)29-20-37(2)33(41)30(35-29)34-26-14-12-25(13-15-26)32(40)38-16-18-42-19-17-38/h3-5,8-15,20,22H,6-7,16-19H2,1-2H3,(H,34,35)(H,36,39)
InChIKeyIUGSXHDXHDIVQO-UHFFFAOYSA-N
XLogP5.10
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide?
The IUPAC name of 4-cyclopropyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide (CID 66895259) is 4-cyclopropyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-cyclopropyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide?
The canonical SMILES for 4-cyclopropyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide is Cc1c(NC(=O)c2ccc(C3CC3)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of 4-cyclopropyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide?
The InChIKey is IUGSXHDXHDIVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N5O4/c1-21-27(4-3-5-28(21)36-31(39)24-10-8-23(9-11-24)22-6-7-22)29-20-37(2)33(41)30(35-29)34-26-14-12-25(13-15-26)32(40)38-16-18-42-19-17-38/h3-5,8-15,20,22H,6-7,16-19H2,1-2H3,(H,34,35)(H,36,39).
What are the key properties of 4-cyclopropyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide?
4-cyclopropyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide has a molecular weight of 563.66 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide is sourced from PubChem (CID 66895259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).