N-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide

C27H25Cl2N5O — CID 134203626

IUPACN-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1C2CCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ccccn13)C2
InChIInChI=1S/C27H25Cl2N5O/c28-19-6-4-18(5-7-19)26-24(33-14-2-1-3-25(33)31-26)17-32-15-22-12-13-23(16-32)34(22)27(35)30-21-10-8-20(29)9-11-21/h1-11,14,22-23H,12-13,15-17H2,(H,30,35)
InChIKeyUCKAMRCYJFDTAS-UHFFFAOYSA-N
MW506.44 g/mol
LogP6.19
Rot. Bonds4

About N-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide

N-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 134203626) has the molecular formula C27H25Cl2N5O and a molecular weight of 506.44 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
PubChem CID134203626
Molecular FormulaC27H25Cl2N5O
Molecular Weight506.44 g/mol
Exact Mass505.14
IUPAC NameN-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1C2CCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ccccn13)C2
InChIInChI=1S/C27H25Cl2N5O/c28-19-6-4-18(5-7-19)26-24(33-14-2-1-3-25(33)31-26)17-32-15-22-12-13-23(16-32)34(22)27(35)30-21-10-8-20(29)9-11-21/h1-11,14,22-23H,12-13,15-17H2,(H,30,35)
InChIKeyUCKAMRCYJFDTAS-UHFFFAOYSA-N
XLogP6.19
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.44
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-(4-chlorophenyl)-3-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazo[1,2-a]pyridine
CID 134203616
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
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]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2-ethenylphenyl)methanone
CID 163785356
[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-cyclohexylmethanone
CID 134203833
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
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
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
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
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 147844744
[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

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 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) is N-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide is O=C(Nc1ccc(Cl)cc1)N1C2CCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ccccn13)C2.
What is the InChIKey of N-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is UCKAMRCYJFDTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2N5O/c28-19-6-4-18(5-7-19)26-24(33-14-2-1-3-25(33)31-26)17-32-15-22-12-13-23(16-32)34(22)27(35)30-21-10-8-20(29)9-11-21/h1-11,14,22-23H,12-13,15-17H2,(H,30,35).
What are the key properties of N-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
N-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 506.44 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 134203626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).