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

C24H15Br2ClN6O2 — CID 141367099

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

4-bromo-N-[4-bromo-2-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide (PubChem CID 141367099) has the molecular formula C24H15Br2ClN6O2 and a molecular weight of 614.69 g/mol. Its IUPAC name is 4-bromo-N-[4-bromo-2-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-bromo-N-[4-bromo-2-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
• PubChem CID: 141367099
• Molecular Formula: C24H15Br2ClN6O2
• Molecular Weight: 614.69 g/mol
• Exact Mass: 611.93
• IUPAC Name: 4-bromo-N-[4-bromo-2-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
• SMILES: Cc1cc(Br)cc(-c2nnc(-c3cccnc3)o2)c1NC(=O)c1cc(Br)cn1-c1ncccc1Cl
• InChI: InChI=1S/C24H15Br2ClN6O2/c1-13-8-15(25)9-17(24-32-31-23(35-24)14-4-2-6-28-11-14)20(13)30-22(34)19-10-16(26)12-33(19)21-18(27)5-3-7-29-21/h2-12H,1H3,(H,30,34)
• InChIKey: YKBREDIXOMNYOU-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 98.73 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	614.69
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-bromo-N-[4-bromo-2-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide (CID 141367099) is 4-bromo-N-[4-bromo-2-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide.

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

The canonical SMILES for 4-bromo-N-[4-bromo-2-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide is Cc1cc(Br)cc(-c2nnc(-c3cccnc3)o2)c1NC(=O)c1cc(Br)cn1-c1ncccc1Cl.

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

The InChIKey is YKBREDIXOMNYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Br2ClN6O2/c1-13-8-15(25)9-17(24-32-31-23(35-24)14-4-2-6-28-11-14)20(13)30-22(34)19-10-16(26)12-33(19)21-18(27)5-3-7-29-21/h2-12H,1H3,(H,30,34).

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

4-bromo-N-[4-bromo-2-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide has a molecular weight of 614.69 g/mol, XLogP of 6.72, 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-bromo-2-methyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide is sourced from PubChem (CID 141367099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).