1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide

C24H29BrN4O2 — CID 60559765

About 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide

1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 60559765) has the molecular formula C24H29BrN4O2 and a molecular weight of 485.43 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide
• PubChem CID: 60559765
• Molecular Formula: C24H29BrN4O2
• Molecular Weight: 485.43 g/mol
• Exact Mass: 484.15
• IUPAC Name: 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide
• SMILES: O=C(NCc1cn2cc(Br)ccc2n1)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2
• InChI: InChI=1S/C24H29BrN4O2/c25-18-3-4-21-27-19(14-28(21)13-18)12-26-22(30)20-2-1-5-29(20)23(31)24-9-15-6-16(10-24)8-17(7-15)11-24/h3-4,13-17,20H,1-2,5-12H2,(H,26,30)
• InChIKey: NRDIPZUPXVJTDQ-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 66.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.43
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide?

The IUPAC name of 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide (CID 60559765) is 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1cn2cc(Br)ccc2n1)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2.

What is the InChIKey of 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide?

The InChIKey is NRDIPZUPXVJTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN4O2/c25-18-3-4-21-27-19(14-28(21)13-18)12-26-22(30)20-2-1-5-29(20)23(31)24-9-15-6-16(10-24)8-17(7-15)11-24/h3-4,13-17,20H,1-2,5-12H2,(H,26,30).

What are the key properties of 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide?

1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 485.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(adamantane-1-carbonyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60559765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).