(7E)-3-(4-bromo-5-methylthiophen-2-yl)-7-[(4-bromo-5-methylthiophen-2-yl)methylidene]-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine

C24H23Br2N3S2 — CID 171358766

About (7E)-3-(4-bromo-5-methylthiophen-2-yl)-7-[(4-bromo-5-methylthiophen-2-yl)methylidene]-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine

(7E)-3-(4-bromo-5-methylthiophen-2-yl)-7-[(4-bromo-5-methylthiophen-2-yl)methylidene]-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 171358766) has the molecular formula C24H23Br2N3S2 and a molecular weight of 577.41 g/mol. Its IUPAC name is (7E)-3-(4-bromo-5-methylthiophen-2-yl)-7-[(4-bromo-5-methylthiophen-2-yl)methylidene]-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: (7E)-3-(4-bromo-5-methylthiophen-2-yl)-7-[(4-bromo-5-methylthiophen-2-yl)methylidene]-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine
• PubChem CID: 171358766
• Molecular Formula: C24H23Br2N3S2
• Molecular Weight: 577.41 g/mol
• Exact Mass: 574.97
• IUPAC Name: (7E)-3-(4-bromo-5-methylthiophen-2-yl)-7-[(4-bromo-5-methylthiophen-2-yl)methylidene]-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine
• SMILES: Cc1sc(/C=C2\CN(C)CC3C2=NN(c2ccccc2)C3c2cc(Br)c(C)s2)cc1Br
• InChI: InChI=1S/C24H23Br2N3S2/c1-14-20(25)10-18(30-14)9-16-12-28(3)13-19-23(16)27-29(17-7-5-4-6-8-17)24(19)22-11-21(26)15(2)31-22/h4-11,19,24H,12-13H2,1-3H3/b16-9+
• InChIKey: CFJQWYGTUKVKTB-CXUHLZMHSA-N
• XLogP: 7.51
• TPSA: 18.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.41
LogP ≤ 5	7.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7E)-3-(4-bromo-5-methylthiophen-2-yl)-7-[(4-bromo-5-methylthiophen-2-yl)methylidene]-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine?

The IUPAC name of (7E)-3-(4-bromo-5-methylthiophen-2-yl)-7-[(4-bromo-5-methylthiophen-2-yl)methylidene]-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine (CID 171358766) is (7E)-3-(4-bromo-5-methylthiophen-2-yl)-7-[(4-bromo-5-methylthiophen-2-yl)methylidene]-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine.

What is the SMILES notation for (7E)-3-(4-bromo-5-methylthiophen-2-yl)-7-[(4-bromo-5-methylthiophen-2-yl)methylidene]-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine?

The canonical SMILES for (7E)-3-(4-bromo-5-methylthiophen-2-yl)-7-[(4-bromo-5-methylthiophen-2-yl)methylidene]-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine is Cc1sc(/C=C2\CN(C)CC3C2=NN(c2ccccc2)C3c2cc(Br)c(C)s2)cc1Br.

What is the InChIKey of (7E)-3-(4-bromo-5-methylthiophen-2-yl)-7-[(4-bromo-5-methylthiophen-2-yl)methylidene]-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine?

The InChIKey is CFJQWYGTUKVKTB-CXUHLZMHSA-N. The full InChI is InChI=1S/C24H23Br2N3S2/c1-14-20(25)10-18(30-14)9-16-12-28(3)13-19-23(16)27-29(17-7-5-4-6-8-17)24(19)22-11-21(26)15(2)31-22/h4-11,19,24H,12-13H2,1-3H3/b16-9+.

What are the key properties of (7E)-3-(4-bromo-5-methylthiophen-2-yl)-7-[(4-bromo-5-methylthiophen-2-yl)methylidene]-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine?

(7E)-3-(4-bromo-5-methylthiophen-2-yl)-7-[(4-bromo-5-methylthiophen-2-yl)methylidene]-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 577.41 g/mol, XLogP of 7.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7E)-3-(4-bromo-5-methylthiophen-2-yl)-7-[(4-bromo-5-methylthiophen-2-yl)methylidene]-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 171358766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).