N-(2-chloro-6-methylphenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide

C29H27Cl2N5O2 — CID 168863954

IUPACN-(2-chloro-6-methylphenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)N1C2CC(=O)CC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ccccn13)C2
InChIInChI=1S/C29H27Cl2N5O2/c1-18-5-4-6-24(31)27(18)33-29(38)36-21-13-23(37)14-22(36)16-34(15-21)17-25-28(19-8-10-20(30)11-9-19)32-26-7-2-3-12-35(25)26/h2-12,21-22H,13-17H2,1H3,(H,33,38)
InChIKeyJUMZOOKDMQUKHT-UHFFFAOYSA-N
MW548.47 g/mol
LogP6.07
Rot. Bonds4

About N-(2-chloro-6-methylphenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide

N-(2-chloro-6-methylphenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide (PubChem CID 168863954) has the molecular formula C29H27Cl2N5O2 and a molecular weight of 548.47 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide
PubChem CID168863954
Molecular FormulaC29H27Cl2N5O2
Molecular Weight548.47 g/mol
Exact Mass547.15
IUPAC NameN-(2-chloro-6-methylphenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)N1C2CC(=O)CC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ccccn13)C2
InChIInChI=1S/C29H27Cl2N5O2/c1-18-5-4-6-24(31)27(18)33-29(38)36-21-13-23(37)14-22(36)16-34(15-21)17-25-28(19-8-10-20(30)11-9-19)32-26-7-2-3-12-35(25)26/h2-12,21-22H,13-17H2,1H3,(H,33,38)
InChIKeyJUMZOOKDMQUKHT-UHFFFAOYSA-N
XLogP6.07
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.47
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-chloro-6-methylphenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide with MolForge

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Related Compounds

N-(2-chloro-6-methylphenyl)-7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide
CID 147562559
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-N,N-di(propan-2-yl)-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide
CID 168863968
N-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 134203626
1-[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-(2-ethyl-6-methylphenyl)ethanone
CID 167570677
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(2,6-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 155270962
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-cyclohexyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 134203756
[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-cyclohexylmethanone
CID 134203833
2-(4-chlorophenyl)-3-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazo[1,2-a]pyridine
CID 134203616
7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide
CID 134203633
[7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]-(2-propan-2-ylphenyl)methanone
CID 147613404
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-9-(cyclopentanecarbonyl)-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 168863988
(3-chloro-6-methoxy-2-pyridinyl)-[7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone
CID 134203589

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide (CID 168863954) is N-(2-chloro-6-methylphenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide is Cc1cccc(Cl)c1NC(=O)N1C2CC(=O)CC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ccccn13)C2.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide?
The InChIKey is JUMZOOKDMQUKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27Cl2N5O2/c1-18-5-4-6-24(31)27(18)33-29(38)36-21-13-23(37)14-22(36)16-34(15-21)17-25-28(19-8-10-20(30)11-9-19)32-26-7-2-3-12-35(25)26/h2-12,21-22H,13-17H2,1H3,(H,33,38).
What are the key properties of N-(2-chloro-6-methylphenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide?
N-(2-chloro-6-methylphenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide has a molecular weight of 548.47 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide is sourced from PubChem (CID 168863954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).