[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone

C18H23ClN4O — CID 95774661

IUPAC[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
SMILESC[C@@H]1C[C@H]1C(=O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C18H23ClN4O/c1-13-9-16(13)18(24)22-6-2-5-21(7-8-22)11-15-12-23-10-14(19)3-4-17(23)20-15/h3-4,10,12-13,16H,2,5-9,11H2,1H3/t13-,16-/m1/s1
InChIKeyRATRLSPXLACHEE-CZUORRHYSA-N
MW346.86 g/mol
LogP2.68
Rot. Bonds3

About [4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone

[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone (PubChem CID 95774661) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is [4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
PubChem CID95774661
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
SMILESC[C@@H]1C[C@H]1C(=O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C18H23ClN4O/c1-13-9-16(13)18(24)22-6-2-5-21(7-8-22)11-15-12-23-10-14(19)3-4-17(23)20-15/h3-4,10,12-13,16H,2,5-9,11H2,1H3/t13-,16-/m1/s1
InChIKeyRATRLSPXLACHEE-CZUORRHYSA-N
XLogP2.68
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone 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

[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634963
2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 166403975
2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 63310199
(3R,7aR)-3-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepane-1-carbonyl]-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one
CID 95774663
2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
CID 43521849
[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 134043496
6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine
CID 87015597
4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-N-methyl-3-nitrobenzamide
CID 133344893
N-[5-[(3S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97344362
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol
CID 62917347
4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine
CID 56810616
6-chloro-2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 133468945

Frequently Asked Questions

What is the IUPAC name of [4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
The IUPAC name of [4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone (CID 95774661) is [4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone.
What is the SMILES notation for [4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
The canonical SMILES for [4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone is C[C@@H]1C[C@H]1C(=O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1.
What is the InChIKey of [4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
The InChIKey is RATRLSPXLACHEE-CZUORRHYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-13-9-16(13)18(24)22-6-2-5-21(7-8-22)11-15-12-23-10-14(19)3-4-17(23)20-15/h3-4,10,12-13,16H,2,5-9,11H2,1H3/t13-,16-/m1/s1.
What are the key properties of [4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone has a molecular weight of 346.86 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone is sourced from PubChem (CID 95774661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).