N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide

C23H20N4O3S — CID 53389929

IUPACN-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide
SMILESCS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C23H20N4O3S/c1-31(29,30)23-21-24-13-20(27(21)14-19(26-23)15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(28)25-18-11-12-18/h2-10,13-14,18H,11-12H2,1H3,(H,25,28)
InChIKeyTXILQOPEAQHTBA-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.36
Rot. Bonds5

About N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide

N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide (PubChem CID 53389929) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide
PubChem CID53389929
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide
SMILESCS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C23H20N4O3S/c1-31(29,30)23-21-24-13-20(27(21)14-19(26-23)15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(28)25-18-11-12-18/h2-10,13-14,18H,11-12H2,1H3,(H,25,28)
InChIKeyTXILQOPEAQHTBA-UHFFFAOYSA-N
XLogP3.36
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide (CID 53389929) is N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide is CS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide?
The InChIKey is TXILQOPEAQHTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-31(29,30)23-21-24-13-20(27(21)14-19(26-23)15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(28)25-18-11-12-18/h2-10,13-14,18H,11-12H2,1H3,(H,25,28).
What are the key properties of N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide?
N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide has a molecular weight of 432.51 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(8-methylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide is sourced from PubChem (CID 53389929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).