N-[6-(dimethylamino)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide

C23H28N6O3 — CID 167420008

About N-[6-(dimethylamino)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide

N-[6-(dimethylamino)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 167420008) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[6-(dimethylamino)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[6-(dimethylamino)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
• PubChem CID: 167420008
• Molecular Formula: C23H28N6O3
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.22
• IUPAC Name: N-[6-(dimethylamino)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
• SMILES: CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cccc(N(C)C)n1
• InChI: InChI=1S/C23H28N6O3/c1-14(2)32-20-15(19(30)26-17-7-6-8-18(25-17)28(4)5)9-29-10-16(24-21(29)27-20)23-11-22(3,12-23)31-13-23/h6-10,14H,11-13H2,1-5H3,(H,25,26,30)
• InChIKey: JQUMLIFCCPQHNR-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 93.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[6-(dimethylamino)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide (CID 167420008) is N-[6-(dimethylamino)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide.

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

The canonical SMILES for N-[6-(dimethylamino)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide is CC(C)Oc1nc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cccc(N(C)C)n1.

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

The InChIKey is JQUMLIFCCPQHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-14(2)32-20-15(19(30)26-17-7-6-8-18(25-17)28(4)5)9-29-10-16(24-21(29)27-20)23-11-22(3,12-23)31-13-23/h6-10,14H,11-13H2,1-5H3,(H,25,26,30).

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

N-[6-(dimethylamino)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(dimethylamino)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 167420008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).