8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methyl-N-[(2-methylaziridin-2-yl)methylcarbamoyl]imidazo[1,2-a]pyridine-3-carboxamide

C22H22F3N5O3 — CID 129304663

About 8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methyl-N-[(2-methylaziridin-2-yl)methylcarbamoyl]imidazo[1,2-a]pyridine-3-carboxamide

8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methyl-N-[(2-methylaziridin-2-yl)methylcarbamoyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 129304663) has the molecular formula C22H22F3N5O3 and a molecular weight of 461.44 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methyl-N-[(2-methylaziridin-2-yl)methylcarbamoyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methyl-N-[(2-methylaziridin-2-yl)methylcarbamoyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 129304663
• Molecular Formula: C22H22F3N5O3
• Molecular Weight: 461.44 g/mol
• Exact Mass: 461.17
• IUPAC Name: 8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methyl-N-[(2-methylaziridin-2-yl)methylcarbamoyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cc(CF)cn2c1C(=O)NC(=O)NCC1(C)CN1
• InChI: InChI=1S/C22H22F3N5O3/c1-12-18(20(31)29-21(32)26-10-22(2)11-27-22)30-8-13(7-23)6-17(19(30)28-12)33-9-14-15(24)4-3-5-16(14)25/h3-6,8,27H,7,9-11H2,1-2H3,(H2,26,29,31,32)
• InChIKey: ZIBFDJHVEFGPOI-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 106.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.44
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methyl-N-[(2-methylaziridin-2-yl)methylcarbamoyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methyl-N-[(2-methylaziridin-2-yl)methylcarbamoyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 129304663) is 8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methyl-N-[(2-methylaziridin-2-yl)methylcarbamoyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methyl-N-[(2-methylaziridin-2-yl)methylcarbamoyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methyl-N-[(2-methylaziridin-2-yl)methylcarbamoyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cc(CF)cn2c1C(=O)NC(=O)NCC1(C)CN1.

What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methyl-N-[(2-methylaziridin-2-yl)methylcarbamoyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is ZIBFDJHVEFGPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O3/c1-12-18(20(31)29-21(32)26-10-22(2)11-27-22)30-8-13(7-23)6-17(19(30)28-12)33-9-14-15(24)4-3-5-16(14)25/h3-6,8,27H,7,9-11H2,1-2H3,(H2,26,29,31,32).

What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methyl-N-[(2-methylaziridin-2-yl)methylcarbamoyl]imidazo[1,2-a]pyridine-3-carboxamide?

8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methyl-N-[(2-methylaziridin-2-yl)methylcarbamoyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 461.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2,6-difluorophenyl)methoxy]-6-(fluoromethyl)-2-methyl-N-[(2-methylaziridin-2-yl)methylcarbamoyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 129304663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).