[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[4.2.1]nonan-8-yl]-(3-methoxyphenyl)methanone

C29H29ClN4O2 — CID 134203683

IUPAC[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[4.2.1]nonan-8-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CC3CCN(Cc4c(-c5ccc(Cl)cc5)nc5ccccn45)CC2C3)c1
InChIInChI=1S/C29H29ClN4O2/c1-36-25-6-4-5-22(16-25)29(35)34-17-20-12-14-32(18-24(34)15-20)19-26-28(21-8-10-23(30)11-9-21)31-27-7-2-3-13-33(26)27/h2-11,13,16,20,24H,12,14-15,17-19H2,1H3
InChIKeyPOALWECBFSXZOW-UHFFFAOYSA-N
MW501.03 g/mol
LogP5.40
Rot. Bonds5

About [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[4.2.1]nonan-8-yl]-(3-methoxyphenyl)methanone

[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[4.2.1]nonan-8-yl]-(3-methoxyphenyl)methanone (PubChem CID 134203683) has the molecular formula C29H29ClN4O2 and a molecular weight of 501.03 g/mol. Its IUPAC name is [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[4.2.1]nonan-8-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[4.2.1]nonan-8-yl]-(3-methoxyphenyl)methanone
PubChem CID134203683
Molecular FormulaC29H29ClN4O2
Molecular Weight501.03 g/mol
Exact Mass500.20
IUPAC Name[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[4.2.1]nonan-8-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CC3CCN(Cc4c(-c5ccc(Cl)cc5)nc5ccccn45)CC2C3)c1
InChIInChI=1S/C29H29ClN4O2/c1-36-25-6-4-5-22(16-25)29(35)34-17-20-12-14-32(18-24(34)15-20)19-26-28(21-8-10-23(30)11-9-21)31-27-7-2-3-13-33(26)27/h2-11,13,16,20,24H,12,14-15,17-19H2,1H3
InChIKeyPOALWECBFSXZOW-UHFFFAOYSA-N
XLogP5.40
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.03
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[4.2.1]nonan-8-yl]-(3-methoxyphenyl)methanone with MolForge

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Related Compounds

[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
1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759661
2-(4-chlorophenyl)-3-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazo[1,2-a]pyridine
CID 134203616
(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
[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-[[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
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
[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
[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]-7-oxo-N,N-di(propan-2-yl)-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide
CID 168863968
[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 [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[4.2.1]nonan-8-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [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) is [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[4.2.1]nonan-8-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[4.2.1]nonan-8-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[4.2.1]nonan-8-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CC3CCN(Cc4c(-c5ccc(Cl)cc5)nc5ccccn45)CC2C3)c1.
What is the InChIKey of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[4.2.1]nonan-8-yl]-(3-methoxyphenyl)methanone?
The InChIKey is POALWECBFSXZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN4O2/c1-36-25-6-4-5-22(16-25)29(35)34-17-20-12-14-32(18-24(34)15-20)19-26-28(21-8-10-23(30)11-9-21)31-27-7-2-3-13-33(26)27/h2-11,13,16,20,24H,12,14-15,17-19H2,1H3.
What are the key properties of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[4.2.1]nonan-8-yl]-(3-methoxyphenyl)methanone?
[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,8-diazabicyclo[4.2.1]nonan-8-yl]-(3-methoxyphenyl)methanone has a molecular weight of 501.03 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 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[4.2.1]nonan-8-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 134203683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).