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

C25H25ClN6O2 — CID 153475149

IUPAC[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
SMILESCCc1ocnc1C(=O)N1C2CCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ncccn13)C2
InChIInChI=1S/C25H25ClN6O2/c1-2-21-23(28-15-34-21)24(33)32-18-8-9-19(32)13-30(12-18)14-20-22(16-4-6-17(26)7-5-16)29-25-27-10-3-11-31(20)25/h3-7,10-11,15,18-19H,2,8-9,12-14H2,1H3
InChIKeyUVWUDBXLAOOGPT-UHFFFAOYSA-N
MW476.97 g/mol
LogP4.09
Rot. Bonds5

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

[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone (PubChem CID 153475149) has the molecular formula C25H25ClN6O2 and a molecular weight of 476.97 g/mol. Its IUPAC name is [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
PubChem CID153475149
Molecular FormulaC25H25ClN6O2
Molecular Weight476.97 g/mol
Exact Mass476.17
IUPAC Name[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
SMILESCCc1ocnc1C(=O)N1C2CCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ncccn13)C2
InChIInChI=1S/C25H25ClN6O2/c1-2-21-23(28-15-34-21)24(33)32-18-8-9-19(32)13-30(12-18)14-20-22(16-4-6-17(26)7-5-16)29-25-27-10-3-11-31(20)25/h3-7,10-11,15,18-19H,2,8-9,12-14H2,1H3
InChIKeyUVWUDBXLAOOGPT-UHFFFAOYSA-N
XLogP4.09
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.97
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone with MolForge

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Related Compounds

[4-[[2-(4-Chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-oxazol-4-yl)methanone
CID 121309778
US11098063, Example 131
CID 146462853
US11098063, Example 27
CID 146462916
US11098063, Example 56
CID 147594908
US11098063, Example 47
CID 149233070
US11098063, Example 139
CID 149392524
US11098063, Example 46
CID 149489501
US11098063, Example 53
CID 153020228
US11098063, Example 50
CID 153475150
US11098063, Example 48
CID 153475151
US11098063, Example 49
CID 153475165
3-(4-Chlorophenyl)-4-(5-methyl-1,3-oxazole-4-carbonyl)-1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-dien-8-one
CID 58406371

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone (CID 153475149) is [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone is CCc1ocnc1C(=O)N1C2CCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ncccn13)C2.
What is the InChIKey of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone?
The InChIKey is UVWUDBXLAOOGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O2/c1-2-21-23(28-15-34-21)24(33)32-18-8-9-19(32)13-30(12-18)14-20-22(16-4-6-17(26)7-5-16)29-25-27-10-3-11-31(20)25/h3-7,10-11,15,18-19H,2,8-9,12-14H2,1H3.
What are the key properties of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone?
[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone has a molecular weight of 476.97 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 153475149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).