N-[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-2-methoxypyridine-3-carboxamide

C22H23N5O4 — CID 154655502

About N-[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-2-methoxypyridine-3-carboxamide

N-[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 154655502) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-2-methoxypyridine-3-carboxamide
• PubChem CID: 154655502
• Molecular Formula: C22H23N5O4
• Molecular Weight: 421.46 g/mol
• Exact Mass: 421.18
• IUPAC Name: N-[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-2-methoxypyridine-3-carboxamide
• SMILES: COc1ncccc1C(=O)Nc1cn2cc(C34COC(C)(C3)C4)nc2nc1OC1CC1
• InChI: InChI=1S/C22H23N5O4/c1-21-10-22(11-21,12-30-21)16-9-27-8-15(19(26-20(27)25-16)31-13-5-6-13)24-17(28)14-4-3-7-23-18(14)29-2/h3-4,7-9,13H,5-6,10-12H2,1-2H3,(H,24,28)
• InChIKey: VYYZDTOQJOLGQO-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 99.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.46
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-2-methoxypyridine-3-carboxamide?

The IUPAC name of N-[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-2-methoxypyridine-3-carboxamide (CID 154655502) is N-[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-2-methoxypyridine-3-carboxamide.

What is the SMILES notation for N-[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-2-methoxypyridine-3-carboxamide?

The canonical SMILES for N-[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)Nc1cn2cc(C34COC(C)(C3)C4)nc2nc1OC1CC1.

What is the InChIKey of N-[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-2-methoxypyridine-3-carboxamide?

The InChIKey is VYYZDTOQJOLGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-21-10-22(11-21,12-30-21)16-9-27-8-15(19(26-20(27)25-16)31-13-5-6-13)24-17(28)14-4-3-7-23-18(14)29-2/h3-4,7-9,13H,5-6,10-12H2,1-2H3,(H,24,28).

What are the key properties of N-[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-2-methoxypyridine-3-carboxamide?

N-[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 154655502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).