4-bromo-N-[4-chloro-2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide

C23H13BrCl3N5O2S — CID 141367096

About 4-bromo-N-[4-chloro-2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide

4-bromo-N-[4-chloro-2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide (PubChem CID 141367096) has the molecular formula C23H13BrCl3N5O2S and a molecular weight of 609.72 g/mol. Its IUPAC name is 4-bromo-N-[4-chloro-2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-bromo-N-[4-chloro-2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
• PubChem CID: 141367096
• Molecular Formula: C23H13BrCl3N5O2S
• Molecular Weight: 609.72 g/mol
• Exact Mass: 606.90
• IUPAC Name: 4-bromo-N-[4-chloro-2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
• SMILES: Cc1cc(Cl)cc(-c2nnc(-c3ccc(Cl)s3)o2)c1NC(=O)c1cc(Br)cn1-c1ncccc1Cl
• InChI: InChI=1S/C23H13BrCl3N5O2S/c1-11-7-13(25)9-14(22-30-31-23(34-22)17-4-5-18(27)35-17)19(11)29-21(33)16-8-12(24)10-32(16)20-15(26)3-2-6-28-20/h2-10H,1H3,(H,29,33)
• InChIKey: NWQMWUTYNQJOOO-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.72
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-chloro-2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide?

The IUPAC name of 4-bromo-N-[4-chloro-2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide (CID 141367096) is 4-bromo-N-[4-chloro-2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide.

What is the SMILES notation for 4-bromo-N-[4-chloro-2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide?

The canonical SMILES for 4-bromo-N-[4-chloro-2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide is Cc1cc(Cl)cc(-c2nnc(-c3ccc(Cl)s3)o2)c1NC(=O)c1cc(Br)cn1-c1ncccc1Cl.

What is the InChIKey of 4-bromo-N-[4-chloro-2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide?

The InChIKey is NWQMWUTYNQJOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13BrCl3N5O2S/c1-11-7-13(25)9-14(22-30-31-23(34-22)17-4-5-18(27)35-17)19(11)29-21(33)16-8-12(24)10-32(16)20-15(26)3-2-6-28-20/h2-10H,1H3,(H,29,33).

What are the key properties of 4-bromo-N-[4-chloro-2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide?

4-bromo-N-[4-chloro-2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide has a molecular weight of 609.72 g/mol, XLogP of 7.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-N-[4-chloro-2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide is sourced from PubChem (CID 141367096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).