(5-cyclopropyl-1,3-oxazol-4-yl)-[3-[[2-(4-cyclopropylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone

C29H30N6O2 — CID 149392524

About (5-cyclopropyl-1,3-oxazol-4-yl)-[3-[[2-(4-cyclopropylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone

(5-cyclopropyl-1,3-oxazol-4-yl)-[3-[[2-(4-cyclopropylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 149392524) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is (5-cyclopropyl-1,3-oxazol-4-yl)-[3-[[2-(4-cyclopropylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

• Compound Name: (5-cyclopropyl-1,3-oxazol-4-yl)-[3-[[2-(4-cyclopropylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
• PubChem CID: 149392524
• Molecular Formula: C29H30N6O2
• Molecular Weight: 494.60 g/mol
• Exact Mass: 494.24
• IUPAC Name: (5-cyclopropyl-1,3-oxazol-4-yl)-[3-[[2-(4-cyclopropylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
• SMILES: O=C(c1ncoc1C1CC1)N1C2CCC1CN(Cc1c(-c3ccc(C4CC4)cc3)nc3ncccn13)C2
• InChI: InChI=1S/C29H30N6O2/c36-28(26-27(21-8-9-21)37-17-31-26)35-22-10-11-23(35)15-33(14-22)16-24-25(32-29-30-12-1-13-34(24)29)20-6-4-19(5-7-20)18-2-3-18/h1,4-7,12-13,17-18,21-23H,2-3,8-11,14-16H2
• InChIKey: YNUWELAJINZJSQ-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 79.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.60
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,3-oxazol-4-yl)-[3-[[2-(4-cyclopropylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone?

The IUPAC name of (5-cyclopropyl-1,3-oxazol-4-yl)-[3-[[2-(4-cyclopropylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone (CID 149392524) is (5-cyclopropyl-1,3-oxazol-4-yl)-[3-[[2-(4-cyclopropylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone.

What is the SMILES notation for (5-cyclopropyl-1,3-oxazol-4-yl)-[3-[[2-(4-cyclopropylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone?

The canonical SMILES for (5-cyclopropyl-1,3-oxazol-4-yl)-[3-[[2-(4-cyclopropylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone is O=C(c1ncoc1C1CC1)N1C2CCC1CN(Cc1c(-c3ccc(C4CC4)cc3)nc3ncccn13)C2.

What is the InChIKey of (5-cyclopropyl-1,3-oxazol-4-yl)-[3-[[2-(4-cyclopropylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone?

The InChIKey is YNUWELAJINZJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2/c36-28(26-27(21-8-9-21)37-17-31-26)35-22-10-11-23(35)15-33(14-22)16-24-25(32-29-30-12-1-13-34(24)29)20-6-4-19(5-7-20)18-2-3-18/h1,4-7,12-13,17-18,21-23H,2-3,8-11,14-16H2.

What are the key properties of (5-cyclopropyl-1,3-oxazol-4-yl)-[3-[[2-(4-cyclopropylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone?

(5-cyclopropyl-1,3-oxazol-4-yl)-[3-[[2-(4-cyclopropylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 494.60 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5-cyclopropyl-1,3-oxazol-4-yl)-[3-[[2-(4-cyclopropylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 149392524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).