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

C24H23ClN6O2 — CID 153475151

IUPAC[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1ocnc1C(=O)N1C2CCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ncccn13)C2
InChIInChI=1S/C24H23ClN6O2/c1-15-21(27-14-33-15)23(32)31-18-7-8-19(31)12-29(11-18)13-20-22(16-3-5-17(25)6-4-16)28-24-26-9-2-10-30(20)24/h2-6,9-10,14,18-19H,7-8,11-13H2,1H3
InChIKeyHYWPRKJMSJGCHY-UHFFFAOYSA-N
MW462.94 g/mol
LogP3.84
Rot. Bonds4

About [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-methyl-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-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 153475151) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 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-methyl-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-methyl-1,3-oxazol-4-yl)methanone
PubChem CID153475151
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC Name[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1ocnc1C(=O)N1C2CCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ncccn13)C2
InChIInChI=1S/C24H23ClN6O2/c1-15-21(27-14-33-15)23(32)31-18-7-8-19(31)12-29(11-18)13-20-22(16-3-5-17(25)6-4-16)28-24-26-9-2-10-30(20)24/h2-6,9-10,14,18-19H,7-8,11-13H2,1H3
InChIKeyHYWPRKJMSJGCHY-UHFFFAOYSA-N
XLogP3.84
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 53.84
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-methyl-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 51
CID 153475149
US11098063, Example 50
CID 153475150
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-methyl-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-methyl-1,3-oxazol-4-yl)methanone (CID 153475151) is [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(5-methyl-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-methyl-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-methyl-1,3-oxazol-4-yl)methanone is Cc1ocnc1C(=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-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is HYWPRKJMSJGCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-15-21(27-14-33-15)23(32)31-18-7-8-19(31)12-29(11-18)13-20-22(16-3-5-17(25)6-4-16)28-24-26-9-2-10-30(20)24/h2-6,9-10,14,18-19H,7-8,11-13H2,1H3.
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-methyl-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-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 462.94 g/mol, XLogP of 3.84, 4 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-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 153475151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).