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

C26H25ClN6O2 — CID 149233070

IUPAC[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-cyclopropyl-1,3-oxazol-4-yl)methanone
SMILESO=C(c1coc(C2CC2)n1)N1C2CCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ncccn13)C2
InChIInChI=1S/C26H25ClN6O2/c27-18-6-4-16(5-7-18)23-22(32-11-1-10-28-26(32)30-23)14-31-12-19-8-9-20(13-31)33(19)25(34)21-15-35-24(29-21)17-2-3-17/h1,4-7,10-11,15,17,19-20H,2-3,8-9,12-14H2
InChIKeyXKRLEBDFZMKVKU-UHFFFAOYSA-N
MW488.98 g/mol
LogP4.40
Rot. Bonds5

About [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-cyclopropyl-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]-(2-cyclopropyl-1,3-oxazol-4-yl)methanone (PubChem CID 149233070) has the molecular formula C26H25ClN6O2 and a molecular weight of 488.98 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]-(2-cyclopropyl-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]-(2-cyclopropyl-1,3-oxazol-4-yl)methanone
PubChem CID149233070
Molecular FormulaC26H25ClN6O2
Molecular Weight488.98 g/mol
Exact Mass488.17
IUPAC Name[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-cyclopropyl-1,3-oxazol-4-yl)methanone
SMILESO=C(c1coc(C2CC2)n1)N1C2CCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ncccn13)C2
InChIInChI=1S/C26H25ClN6O2/c27-18-6-4-16(5-7-18)23-22(32-11-1-10-28-26(32)30-23)14-31-12-19-8-9-20(13-31)33(19)25(34)21-15-35-24(29-21)17-2-3-17/h1,4-7,10-11,15,17,19-20H,2-3,8-9,12-14H2
InChIKeyXKRLEBDFZMKVKU-UHFFFAOYSA-N
XLogP4.40
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.98
LogP ≤ 54.40
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]-(2-cyclopropyl-1,3-oxazol-4-yl)methanone with MolForge

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Related Compounds

N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide
CID 139488201
[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 56
CID 147594908
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 48
CID 153475151
US11098063, Example 49
CID 153475165
2-[2-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide
CID 168162725

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]-(2-cyclopropyl-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]-(2-cyclopropyl-1,3-oxazol-4-yl)methanone (CID 149233070) is [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-cyclopropyl-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]-(2-cyclopropyl-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]-(2-cyclopropyl-1,3-oxazol-4-yl)methanone is O=C(c1coc(C2CC2)n1)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]-(2-cyclopropyl-1,3-oxazol-4-yl)methanone?
The InChIKey is XKRLEBDFZMKVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O2/c27-18-6-4-16(5-7-18)23-22(32-11-1-10-28-26(32)30-23)14-31-12-19-8-9-20(13-31)33(19)25(34)21-15-35-24(29-21)17-2-3-17/h1,4-7,10-11,15,17,19-20H,2-3,8-9,12-14H2.
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]-(2-cyclopropyl-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]-(2-cyclopropyl-1,3-oxazol-4-yl)methanone has a molecular weight of 488.98 g/mol, XLogP of 4.40, 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]-(2-cyclopropyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 149233070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).