[5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone

C28H28ClN5O2 — CID 134203608

IUPAC[5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone
SMILESCOc1ccc(C)c(C(=O)N2CC3CCC2CN3Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)n1
InChIInChI=1S/C28H28ClN5O2/c1-18-6-13-25(36-2)31-26(18)28(35)34-16-21-11-12-22(34)15-32(21)17-23-27(19-7-9-20(29)10-8-19)30-24-5-3-4-14-33(23)24/h3-10,13-14,21-22H,11-12,15-17H2,1-2H3
InChIKeyQBPNFUMNRBEUAT-UHFFFAOYSA-N
MW502.02 g/mol
LogP4.86
Rot. Bonds5

About [5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone

[5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone (PubChem CID 134203608) has the molecular formula C28H28ClN5O2 and a molecular weight of 502.02 g/mol. Its IUPAC name is [5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone
PubChem CID134203608
Molecular FormulaC28H28ClN5O2
Molecular Weight502.02 g/mol
Exact Mass501.19
IUPAC Name[5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone
SMILESCOc1ccc(C)c(C(=O)N2CC3CCC2CN3Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)n1
InChIInChI=1S/C28H28ClN5O2/c1-18-6-13-25(36-2)31-26(18)28(35)34-16-21-11-12-22(34)15-32(21)17-23-27(19-7-9-20(29)10-8-19)30-24-5-3-4-14-33(23)24/h3-10,13-14,21-22H,11-12,15-17H2,1-2H3
InChIKeyQBPNFUMNRBEUAT-UHFFFAOYSA-N
XLogP4.86
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.02
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone with MolForge

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Related Compounds

tert-butyl 5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylate
CID 134203440
[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(6-methoxy-2-pyridinyl)methanone
CID 146602426
(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
5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylic acid
CID 148555864
2-(4-chlorophenyl)-3-(2,5-diazabicyclo[2.2.2]octan-2-ylmethyl)imidazo[1,2-a]pyridine
CID 134203654
2-(4-chlorophenyl)-3-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazo[1,2-a]pyridine
CID 134203616
[2-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methoxyphenyl)methanone
CID 139491971
3-[[5-[(3-chloro-6-methoxy-2-pyridinyl)methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine
CID 166948577
[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[4.2.1]nonan-8-yl]-(3-methoxyphenyl)methanone
CID 134203683
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-(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
[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

Frequently Asked Questions

What is the IUPAC name of [5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone?
The IUPAC name of [5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone (CID 134203608) is [5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone?
The canonical SMILES for [5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone is COc1ccc(C)c(C(=O)N2CC3CCC2CN3Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)n1.
What is the InChIKey of [5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone?
The InChIKey is QBPNFUMNRBEUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN5O2/c1-18-6-13-25(36-2)31-26(18)28(35)34-16-21-11-12-22(34)15-32(21)17-23-27(19-7-9-20(29)10-8-19)30-24-5-3-4-14-33(23)24/h3-10,13-14,21-22H,11-12,15-17H2,1-2H3.
What are the key properties of [5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone?
[5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone has a molecular weight of 502.02 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-(6-methoxy-3-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 134203608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).