7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-morpholin-4-ylimidazo[1,2-a]pyridine-6-carboxamide

C22H22BrCl2N5O3 — CID 11685443

About 7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-morpholin-4-ylimidazo[1,2-a]pyridine-6-carboxamide

7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-morpholin-4-ylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 11685443) has the molecular formula C22H22BrCl2N5O3 and a molecular weight of 555.26 g/mol. Its IUPAC name is 7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-morpholin-4-ylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-morpholin-4-ylimidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 11685443
• Molecular Formula: C22H22BrCl2N5O3
• Molecular Weight: 555.26 g/mol
• Exact Mass: 553.03
• IUPAC Name: 7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-morpholin-4-ylimidazo[1,2-a]pyridine-6-carboxamide
• SMILES: O=C(NOCC1CC1)c1cn2c(N3CCOCC3)cnc2c(Cl)c1Nc1ccc(Br)cc1Cl
• InChI: InChI=1S/C22H22BrCl2N5O3/c23-14-3-4-17(16(24)9-14)27-20-15(22(31)28-33-12-13-1-2-13)11-30-18(10-26-21(30)19(20)25)29-5-7-32-8-6-29/h3-4,9-11,13,27H,1-2,5-8,12H2,(H,28,31)
• InChIKey: JSQBQOZYGDHQLG-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 80.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.26
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-morpholin-4-ylimidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of 7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-morpholin-4-ylimidazo[1,2-a]pyridine-6-carboxamide (CID 11685443) is 7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-morpholin-4-ylimidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for 7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-morpholin-4-ylimidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for 7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-morpholin-4-ylimidazo[1,2-a]pyridine-6-carboxamide is O=C(NOCC1CC1)c1cn2c(N3CCOCC3)cnc2c(Cl)c1Nc1ccc(Br)cc1Cl.

What is the InChIKey of 7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-morpholin-4-ylimidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is JSQBQOZYGDHQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrCl2N5O3/c23-14-3-4-17(16(24)9-14)27-20-15(22(31)28-33-12-13-1-2-13)11-30-18(10-26-21(30)19(20)25)29-5-7-32-8-6-29/h3-4,9-11,13,27H,1-2,5-8,12H2,(H,28,31).

What are the key properties of 7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-morpholin-4-ylimidazo[1,2-a]pyridine-6-carboxamide?

7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-morpholin-4-ylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 555.26 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-morpholin-4-ylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 11685443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).