N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-4-methylsulfonylbenzamide

C32H30N6O5S — CID 11650195

IUPACN-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-4-methylsulfonylbenzamide
SMILESCc1c(NC(=O)c2ccc(S(C)(=O)=O)cc2)cccc1-c1cn2ccnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C32H30N6O5S/c1-21-26(4-3-5-27(21)36-31(39)22-8-12-25(13-9-22)44(2,41)42)28-20-38-15-14-33-30(38)29(35-28)34-24-10-6-23(7-11-24)32(40)37-16-18-43-19-17-37/h3-15,20H,16-19H2,1-2H3,(H,34,35)(H,36,39)
InChIKeyXCXMELDOJGAJSN-UHFFFAOYSA-N
MW610.70 g/mol
LogP4.58
Rot. Bonds7

About N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-4-methylsulfonylbenzamide

N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-4-methylsulfonylbenzamide (PubChem CID 11650195) has the molecular formula C32H30N6O5S and a molecular weight of 610.70 g/mol. Its IUPAC name is N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-4-methylsulfonylbenzamide
PubChem CID11650195
Molecular FormulaC32H30N6O5S
Molecular Weight610.70 g/mol
Exact Mass610.20
IUPAC NameN-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-4-methylsulfonylbenzamide
SMILESCc1c(NC(=O)c2ccc(S(C)(=O)=O)cc2)cccc1-c1cn2ccnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C32H30N6O5S/c1-21-26(4-3-5-27(21)36-31(39)22-8-12-25(13-9-22)44(2,41)42)28-20-38-15-14-33-30(38)29(35-28)34-24-10-6-23(7-11-24)32(40)37-16-18-43-19-17-37/h3-15,20H,16-19H2,1-2H3,(H,34,35)(H,36,39)
InChIKeyXCXMELDOJGAJSN-UHFFFAOYSA-N
XLogP4.58
TPSA135.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.70
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-4-methylsulfonylbenzamide (CID 11650195) is N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-4-methylsulfonylbenzamide is Cc1c(NC(=O)c2ccc(S(C)(=O)=O)cc2)cccc1-c1cn2ccnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-4-methylsulfonylbenzamide?
The InChIKey is XCXMELDOJGAJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N6O5S/c1-21-26(4-3-5-27(21)36-31(39)22-8-12-25(13-9-22)44(2,41)42)28-20-38-15-14-33-30(38)29(35-28)34-24-10-6-23(7-11-24)32(40)37-16-18-43-19-17-37/h3-15,20H,16-19H2,1-2H3,(H,34,35)(H,36,39).
What are the key properties of N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-4-methylsulfonylbenzamide?
N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-4-methylsulfonylbenzamide has a molecular weight of 610.70 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 11650195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).