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

C23H24BrCl2N5O3 — CID 58760536

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

7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 58760536) has the molecular formula C23H24BrCl2N5O3 and a molecular weight of 569.29 g/mol. Its IUPAC name is 7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 58760536
• Molecular Formula: C23H24BrCl2N5O3
• Molecular Weight: 569.29 g/mol
• Exact Mass: 567.04
• IUPAC Name: 7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: O=C(NOCC1CC1)c1cn2c(CN3CCOCC3)cnc2c(Cl)c1Nc1ccc(Br)cc1Cl
• InChI: InChI=1S/C23H24BrCl2N5O3/c24-15-3-4-19(18(25)9-15)28-21-17(23(32)29-34-13-14-1-2-14)12-31-16(10-27-22(31)20(21)26)11-30-5-7-33-8-6-30/h3-4,9-10,12,14,28H,1-2,5-8,11,13H2,(H,29,32)
• InChIKey: WYOCLSQMNYYDAE-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 80.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.29
LogP ≤ 5	5.05
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-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of 7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 58760536) is 7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide.

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

The canonical SMILES for 7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide is O=C(NOCC1CC1)c1cn2c(CN3CCOCC3)cnc2c(Cl)c1Nc1ccc(Br)cc1Cl.

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

The InChIKey is WYOCLSQMNYYDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrCl2N5O3/c24-15-3-4-19(18(25)9-15)28-21-17(23(32)29-34-13-14-1-2-14)12-31-16(10-27-22(31)20(21)26)11-30-5-7-33-8-6-30/h3-4,9-10,12,14,28H,1-2,5-8,11,13H2,(H,29,32).

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

7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 569.29 g/mol, XLogP of 5.05, 8 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-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 58760536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).