7-chloro-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide

C23H19ClF3N5O3S2 — CID 68890733

About 7-chloro-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide

7-chloro-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide (PubChem CID 68890733) has the molecular formula C23H19ClF3N5O3S2 and a molecular weight of 570.02 g/mol. Its IUPAC name is 7-chloro-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide.

Molecular Properties

• Compound Name: 7-chloro-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide
• PubChem CID: 68890733
• Molecular Formula: C23H19ClF3N5O3S2
• Molecular Weight: 570.02 g/mol
• Exact Mass: 569.06
• IUPAC Name: 7-chloro-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide
• SMILES: Cn1nc(-c2ccc(S(=O)(=O)N3CCn4c(c(C(N)=O)c(Cl)c4-c4ccccc4)C3)s2)cc1C(F)(F)F
• InChI: InChI=1S/C23H19ClF3N5O3S2/c1-30-17(23(25,26)27)11-14(29-30)16-7-8-18(36-16)37(34,35)31-9-10-32-15(12-31)19(22(28)33)20(24)21(32)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H2,28,33)
• InChIKey: AYMHYZVCZWZIJG-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 103.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.02
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide?

The IUPAC name of 7-chloro-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide (CID 68890733) is 7-chloro-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide.

What is the SMILES notation for 7-chloro-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide?

The canonical SMILES for 7-chloro-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide is Cn1nc(-c2ccc(S(=O)(=O)N3CCn4c(c(C(N)=O)c(Cl)c4-c4ccccc4)C3)s2)cc1C(F)(F)F.

What is the InChIKey of 7-chloro-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide?

The InChIKey is AYMHYZVCZWZIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N5O3S2/c1-30-17(23(25,26)27)11-14(29-30)16-7-8-18(36-16)37(34,35)31-9-10-32-15(12-31)19(22(28)33)20(24)21(32)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H2,28,33).

What are the key properties of 7-chloro-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide?

7-chloro-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide has a molecular weight of 570.02 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide is sourced from PubChem (CID 68890733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).