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

C29H27ClN4O — CID 163785356

IUPAC[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-ethenylphenyl)methanone
SMILESC=Cc1ccccc1C(=O)N1C2CCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ccccn13)C2
InChIInChI=1S/C29H27ClN4O/c1-2-20-7-3-4-8-25(20)29(35)34-23-14-15-24(34)18-32(17-23)19-26-28(21-10-12-22(30)13-11-21)31-27-9-5-6-16-33(26)27/h2-13,16,23-24H,1,14-15,17-19H2
InChIKeyMSBNDEBDLATWDB-UHFFFAOYSA-N
MW483.02 g/mol
LogP5.79
Rot. Bonds5

About [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-ethenylphenyl)methanone

[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-ethenylphenyl)methanone (PubChem CID 163785356) has the molecular formula C29H27ClN4O and a molecular weight of 483.02 g/mol. Its IUPAC name is [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-ethenylphenyl)methanone.

Molecular Properties

Compound Name[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-ethenylphenyl)methanone
PubChem CID163785356
Molecular FormulaC29H27ClN4O
Molecular Weight483.02 g/mol
Exact Mass482.19
IUPAC Name[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-ethenylphenyl)methanone
SMILESC=Cc1ccccc1C(=O)N1C2CCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ccccn13)C2
InChIInChI=1S/C29H27ClN4O/c1-2-20-7-3-4-8-25(20)29(35)34-23-14-15-24(34)18-32(17-23)19-26-28(21-10-12-22(30)13-11-21)31-27-9-5-6-16-33(26)27/h2-13,16,23-24H,1,14-15,17-19H2
InChIKeyMSBNDEBDLATWDB-UHFFFAOYSA-N
XLogP5.79
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.02
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-ethenylphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-ethenylphenyl)methanone?
The IUPAC name of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-ethenylphenyl)methanone (CID 163785356) is [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-ethenylphenyl)methanone.
What is the SMILES notation for [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-ethenylphenyl)methanone?
The canonical SMILES for [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-ethenylphenyl)methanone is C=Cc1ccccc1C(=O)N1C2CCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ccccn13)C2.
What is the InChIKey of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-ethenylphenyl)methanone?
The InChIKey is MSBNDEBDLATWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN4O/c1-2-20-7-3-4-8-25(20)29(35)34-23-14-15-24(34)18-32(17-23)19-26-28(21-10-12-22(30)13-11-21)31-27-9-5-6-16-33(26)27/h2-13,16,23-24H,1,14-15,17-19H2.
What are the key properties of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-ethenylphenyl)methanone?
[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-ethenylphenyl)methanone has a molecular weight of 483.02 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-ethenylphenyl)methanone is sourced from PubChem (CID 163785356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).