[7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone

C26H25ClN6O3 — CID 149489501

About [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone

[7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone (PubChem CID 149489501) has the molecular formula C26H25ClN6O3 and a molecular weight of 504.98 g/mol. Its IUPAC name is [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

• Compound Name: [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
• PubChem CID: 149489501
• Molecular Formula: C26H25ClN6O3
• Molecular Weight: 504.98 g/mol
• Exact Mass: 504.17
• IUPAC Name: [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
• SMILES: O=C(c1ncoc1C1CC1)N1C2COCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ncccn13)C2
• InChI: InChI=1S/C26H25ClN6O3/c27-18-6-4-16(5-7-18)22-21(32-9-1-8-28-26(32)30-22)12-31-10-19-13-35-14-20(11-31)33(19)25(34)23-24(17-2-3-17)36-15-29-23/h1,4-9,15,17,19-20H,2-3,10-14H2
• InChIKey: ZEUWISZLQVQAMH-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 89.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.98
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone?

The IUPAC name of [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone (CID 149489501) is [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone.

What is the SMILES notation for [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone?

The canonical SMILES for [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone is O=C(c1ncoc1C1CC1)N1C2COCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ncccn13)C2.

What is the InChIKey of [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone?

The InChIKey is ZEUWISZLQVQAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O3/c27-18-6-4-16(5-7-18)22-21(32-9-1-8-28-26(32)30-22)12-31-10-19-13-35-14-20(11-31)33(19)25(34)23-24(17-2-3-17)36-15-29-23/h1,4-9,15,17,19-20H,2-3,10-14H2.

What are the key properties of [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone?

[7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone has a molecular weight of 504.98 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 149489501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).