(3R)-N-(5-bromo-2-pyridinyl)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide

C20H20BrN5O2 — CID 51960674

About (3R)-N-(5-bromo-2-pyridinyl)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide

(3R)-N-(5-bromo-2-pyridinyl)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide (PubChem CID 51960674) has the molecular formula C20H20BrN5O2 and a molecular weight of 442.32 g/mol. Its IUPAC name is (3R)-N-(5-bromo-2-pyridinyl)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(5-bromo-2-pyridinyl)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide
• PubChem CID: 51960674
• Molecular Formula: C20H20BrN5O2
• Molecular Weight: 442.32 g/mol
• Exact Mass: 441.08
• IUPAC Name: (3R)-N-(5-bromo-2-pyridinyl)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide
• SMILES: Cc1ccn2cc(C(=O)N3CCC[C@@H](C(=O)Nc4ccc(Br)cn4)C3)nc2c1
• InChI: InChI=1S/C20H20BrN5O2/c1-13-6-8-25-12-16(23-18(25)9-13)20(28)26-7-2-3-14(11-26)19(27)24-17-5-4-15(21)10-22-17/h4-6,8-10,12,14H,2-3,7,11H2,1H3,(H,22,24,27)/t14-/m1/s1
• InChIKey: WSUDQLXAJFKMQZ-CQSZACIVSA-N
• XLogP: 3.29
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.32
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-bromo-2-pyridinyl)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide?

The IUPAC name of (3R)-N-(5-bromo-2-pyridinyl)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide (CID 51960674) is (3R)-N-(5-bromo-2-pyridinyl)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-(5-bromo-2-pyridinyl)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-(5-bromo-2-pyridinyl)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide is Cc1ccn2cc(C(=O)N3CCC[C@@H](C(=O)Nc4ccc(Br)cn4)C3)nc2c1.

What is the InChIKey of (3R)-N-(5-bromo-2-pyridinyl)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide?

The InChIKey is WSUDQLXAJFKMQZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20BrN5O2/c1-13-6-8-25-12-16(23-18(25)9-13)20(28)26-7-2-3-14(11-26)19(27)24-17-5-4-15(21)10-22-17/h4-6,8-10,12,14H,2-3,7,11H2,1H3,(H,22,24,27)/t14-/m1/s1.

What are the key properties of (3R)-N-(5-bromo-2-pyridinyl)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide?

(3R)-N-(5-bromo-2-pyridinyl)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 442.32 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(5-bromo-2-pyridinyl)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 51960674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).