2-[[3a-[(6-chloro-2-pyridinyl)oxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]imidazo[1,2-a]pyridine

C21H23ClN4O — CID 177219023

IUPAC2-[[3a-[(6-chloro-2-pyridinyl)oxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]imidazo[1,2-a]pyridine
SMILESClc1cccc(OCC23CCCC2CN(Cc2cn4ccccc4n2)C3)n1
InChIInChI=1S/C21H23ClN4O/c22-18-6-3-8-20(24-18)27-15-21-9-4-5-16(21)11-25(14-21)12-17-13-26-10-2-1-7-19(26)23-17/h1-3,6-8,10,13,16H,4-5,9,11-12,14-15H2
InChIKeyQSRVNDBDPTTWGU-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.06
Rot. Bonds5

About 2-[[3a-[(6-chloro-2-pyridinyl)oxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]imidazo[1,2-a]pyridine

2-[[3a-[(6-chloro-2-pyridinyl)oxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 177219023) has the molecular formula C21H23ClN4O and a molecular weight of 382.89 g/mol. Its IUPAC name is 2-[[3a-[(6-chloro-2-pyridinyl)oxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[3a-[(6-chloro-2-pyridinyl)oxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID177219023
Molecular FormulaC21H23ClN4O
Molecular Weight382.89 g/mol
Exact Mass382.16
IUPAC Name2-[[3a-[(6-chloro-2-pyridinyl)oxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]imidazo[1,2-a]pyridine
SMILESClc1cccc(OCC23CCCC2CN(Cc2cn4ccccc4n2)C3)n1
InChIInChI=1S/C21H23ClN4O/c22-18-6-3-8-20(24-18)27-15-21-9-4-5-16(21)11-25(14-21)12-17-13-26-10-2-1-7-19(26)23-17/h1-3,6-8,10,13,16H,4-5,9,11-12,14-15H2
InChIKeyQSRVNDBDPTTWGU-UHFFFAOYSA-N
XLogP4.06
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[[3a-[(6-chloro-2-pyridinyl)oxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]imidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 62918360
2-[[4-[(6-methoxy-2-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 172903088
[(2R)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62736748
(3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine
CID 129366305
2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 80677191
1-[2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3a-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]ethanone
CID 137335045
2-[[8-[(3,4-difluorophenoxy)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]imidazo[1,2-a]pyridine
CID 177218998
2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 94920556
2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 7039929
2-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine bromide
CID 53347072
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholin-2-yl]ethanamine
CID 115314933
2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 6464477

Frequently Asked Questions

What is the IUPAC name of 2-[[3a-[(6-chloro-2-pyridinyl)oxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[3a-[(6-chloro-2-pyridinyl)oxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]imidazo[1,2-a]pyridine (CID 177219023) is 2-[[3a-[(6-chloro-2-pyridinyl)oxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[3a-[(6-chloro-2-pyridinyl)oxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[3a-[(6-chloro-2-pyridinyl)oxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]imidazo[1,2-a]pyridine is Clc1cccc(OCC23CCCC2CN(Cc2cn4ccccc4n2)C3)n1.
What is the InChIKey of 2-[[3a-[(6-chloro-2-pyridinyl)oxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is QSRVNDBDPTTWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c22-18-6-3-8-20(24-18)27-15-21-9-4-5-16(21)11-25(14-21)12-17-13-26-10-2-1-7-19(26)23-17/h1-3,6-8,10,13,16H,4-5,9,11-12,14-15H2.
What are the key properties of 2-[[3a-[(6-chloro-2-pyridinyl)oxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]imidazo[1,2-a]pyridine?
2-[[3a-[(6-chloro-2-pyridinyl)oxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 382.89 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3a-[(6-chloro-2-pyridinyl)oxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 177219023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).