N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide

C24H19F3N4O3S — CID 53389730

IUPACN-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(S(=O)(=O)CC(F)(F)F)nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C24H19F3N4O3S/c25-24(26,27)14-35(33,34)23-21-28-12-20(31(21)13-19(30-23)15-4-2-1-3-5-15)16-6-8-17(9-7-16)22(32)29-18-10-11-18/h1-9,12-13,18H,10-11,14H2,(H,29,32)
InChIKeyBLGYDWISISKCKE-UHFFFAOYSA-N
MW500.50 g/mol
LogP4.29
Rot. Bonds6

About N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 53389730) has the molecular formula C24H19F3N4O3S and a molecular weight of 500.50 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID53389730
Molecular FormulaC24H19F3N4O3S
Molecular Weight500.50 g/mol
Exact Mass500.11
IUPAC NameN-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(S(=O)(=O)CC(F)(F)F)nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C24H19F3N4O3S/c25-24(26,27)14-35(33,34)23-21-28-12-20(31(21)13-19(30-23)15-4-2-1-3-5-15)16-6-8-17(9-7-16)22(32)29-18-10-11-18/h1-9,12-13,18H,10-11,14H2,(H,29,32)
InChIKeyBLGYDWISISKCKE-UHFFFAOYSA-N
XLogP4.29
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 53389730) is N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(S(=O)(=O)CC(F)(F)F)nc(-c4ccccc4)cn23)cc1.
What is the InChIKey of N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is BLGYDWISISKCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3S/c25-24(26,27)14-35(33,34)23-21-28-12-20(31(21)13-19(30-23)15-4-2-1-3-5-15)16-6-8-17(9-7-16)22(32)29-18-10-11-18/h1-9,12-13,18H,10-11,14H2,(H,29,32).
What are the key properties of N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 500.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-phenyl-8-(2,2,2-trifluoroethylsulfonyl)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 53389730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).