2-[(3R)-3,6-dimethyloxan-3-yl]-N-(1-methyl-2-oxo-3-pyridinyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide

C23H29N5O4 — CID 155444039

About 2-[(3R)-3,6-dimethyloxan-3-yl]-N-(1-methyl-2-oxo-3-pyridinyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide

2-[(3R)-3,6-dimethyloxan-3-yl]-N-(1-methyl-2-oxo-3-pyridinyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 155444039) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-[(3R)-3,6-dimethyloxan-3-yl]-N-(1-methyl-2-oxo-3-pyridinyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[(3R)-3,6-dimethyloxan-3-yl]-N-(1-methyl-2-oxo-3-pyridinyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
• PubChem CID: 155444039
• Molecular Formula: C23H29N5O4
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.22
• IUPAC Name: 2-[(3R)-3,6-dimethyloxan-3-yl]-N-(1-methyl-2-oxo-3-pyridinyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
• SMILES: CC(C)Oc1nc2nc([C@@]3(C)CCC(C)OC3)cn2cc1C(=O)Nc1cccn(C)c1=O
• InChI: InChI=1S/C23H29N5O4/c1-14(2)32-20-16(19(29)24-17-7-6-10-27(5)21(17)30)11-28-12-18(25-22(28)26-20)23(4)9-8-15(3)31-13-23/h6-7,10-12,14-15H,8-9,13H2,1-5H3,(H,24,29)/t15?,23-/m0/s1
• InChIKey: HRRLWSJJVKKRRZ-GMTBNIFVSA-N
• XLogP: 2.92
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3,6-dimethyloxan-3-yl]-N-(1-methyl-2-oxo-3-pyridinyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?

The IUPAC name of 2-[(3R)-3,6-dimethyloxan-3-yl]-N-(1-methyl-2-oxo-3-pyridinyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide (CID 155444039) is 2-[(3R)-3,6-dimethyloxan-3-yl]-N-(1-methyl-2-oxo-3-pyridinyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-[(3R)-3,6-dimethyloxan-3-yl]-N-(1-methyl-2-oxo-3-pyridinyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for 2-[(3R)-3,6-dimethyloxan-3-yl]-N-(1-methyl-2-oxo-3-pyridinyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide is CC(C)Oc1nc2nc([C@@]3(C)CCC(C)OC3)cn2cc1C(=O)Nc1cccn(C)c1=O.

What is the InChIKey of 2-[(3R)-3,6-dimethyloxan-3-yl]-N-(1-methyl-2-oxo-3-pyridinyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?

The InChIKey is HRRLWSJJVKKRRZ-GMTBNIFVSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-14(2)32-20-16(19(29)24-17-7-6-10-27(5)21(17)30)11-28-12-18(25-22(28)26-20)23(4)9-8-15(3)31-13-23/h6-7,10-12,14-15H,8-9,13H2,1-5H3,(H,24,29)/t15?,23-/m0/s1.

What are the key properties of 2-[(3R)-3,6-dimethyloxan-3-yl]-N-(1-methyl-2-oxo-3-pyridinyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?

2-[(3R)-3,6-dimethyloxan-3-yl]-N-(1-methyl-2-oxo-3-pyridinyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-3,6-dimethyloxan-3-yl]-N-(1-methyl-2-oxo-3-pyridinyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 155444039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).