N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-2-sulfonamide

C25H22ClF3N6O2S — CID 134306956

About N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-2-sulfonamide

N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-2-sulfonamide (PubChem CID 134306956) has the molecular formula C25H22ClF3N6O2S and a molecular weight of 563.01 g/mol. Its IUPAC name is N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-2-sulfonamide.

Molecular Properties

• Compound Name: N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-2-sulfonamide
• PubChem CID: 134306956
• Molecular Formula: C25H22ClF3N6O2S
• Molecular Weight: 563.01 g/mol
• Exact Mass: 562.12
• IUPAC Name: N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-2-sulfonamide
• SMILES: Cc1cccc(C)c1-c1nc(NS(=O)(=O)c2cccc(N3CCn4cc(C(F)(F)F)nc4C3)n2)ccc1Cl
• InChI: InChI=1S/C25H22ClF3N6O2S/c1-15-5-3-6-16(2)23(15)24-17(26)9-10-19(31-24)33-38(36,37)22-8-4-7-20(32-22)35-12-11-34-13-18(25(27,28)29)30-21(34)14-35/h3-10,13H,11-12,14H2,1-2H3,(H,31,33)
• InChIKey: DQUIKTMWFCMWCC-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.01
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-2-sulfonamide?

The IUPAC name of N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-2-sulfonamide (CID 134306956) is N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-2-sulfonamide.

What is the SMILES notation for N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-2-sulfonamide?

The canonical SMILES for N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-2-sulfonamide is Cc1cccc(C)c1-c1nc(NS(=O)(=O)c2cccc(N3CCn4cc(C(F)(F)F)nc4C3)n2)ccc1Cl.

What is the InChIKey of N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-2-sulfonamide?

The InChIKey is DQUIKTMWFCMWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF3N6O2S/c1-15-5-3-6-16(2)23(15)24-17(26)9-10-19(31-24)33-38(36,37)22-8-4-7-20(32-22)35-12-11-34-13-18(25(27,28)29)30-21(34)14-35/h3-10,13H,11-12,14H2,1-2H3,(H,31,33).

What are the key properties of N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-2-sulfonamide?

N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-2-sulfonamide has a molecular weight of 563.01 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 134306956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).