3-chloro-N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

C₂₃H₂₃ClF₂N₄O₃ — CID 155437318

About 3-chloro-N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

3-chloro-N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 155437318) has the molecular formula C₂₃H₂₃ClF₂N₄O₃ and a molecular weight of 476.91 g/mol. Its IUPAC name is 3-chloro-N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 155437318
• Molecular Formula: C₂₃H₂₃ClF₂N₄O₃
• Molecular Weight: 476.91 g/mol
• Exact Mass: 476.14
• IUPAC Name: 3-chloro-N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
• SMILES: CC(C)Oc1cc2nc(C34COC(C)(C3)C4)c(Cl)n2cc1C(=O)Nc1cccc(C(F)F)n1
• InChI: InChI=1S/C23H23ClF2N4O3/c1-12(2)33-15-7-17-29-18(23-9-22(3,10-23)32-11-23)19(24)30(17)8-13(15)21(31)28-16-6-4-5-14(27-16)20(25)26/h4-8,12,20H,9-11H2,1-3H3,(H,27,28,31)
• InChIKey: JCFMMRDPHUJVKS-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 77.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.91
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of 3-chloro-N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (CID 155437318) is 3-chloro-N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for 3-chloro-N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for 3-chloro-N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is CC(C)Oc1cc2nc(C34COC(C)(C3)C4)c(Cl)n2cc1C(=O)Nc1cccc(C(F)F)n1.

What is the InChIKey of 3-chloro-N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is JCFMMRDPHUJVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF2N4O3/c1-12(2)33-15-7-17-29-18(23-9-22(3,10-23)32-11-23)19(24)30(17)8-13(15)21(31)28-16-6-4-5-14(27-16)20(25)26/h4-8,12,20H,9-11H2,1-3H3,(H,27,28,31).

What are the key properties of 3-chloro-N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?

3-chloro-N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 476.91 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 155437318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155437318 — identifiers, structure, computed properties (public domain)

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