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

C20H28ClN5O — CID 120634963

IUPAC[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)CCN1
InChIInChI=1S/C20H28ClN5O/c1-15-11-16(5-6-22-15)20(27)25-8-2-7-24(9-10-25)13-18-14-26-12-17(21)3-4-19(26)23-18/h3-4,12,14-16,22H,2,5-11,13H2,1H3/t15-,16-/m0/s1
InChIKeyMRNIEVLGCOKKRR-HOTGVXAUSA-N
MW389.93 g/mol
LogP2.41
Rot. Bonds3

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

[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone (PubChem CID 120634963) has the molecular formula C20H28ClN5O and a molecular weight of 389.93 g/mol. Its IUPAC name is [4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
PubChem CID120634963
Molecular FormulaC20H28ClN5O
Molecular Weight389.93 g/mol
Exact Mass389.20
IUPAC Name[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)CCN1
InChIInChI=1S/C20H28ClN5O/c1-15-11-16(5-6-22-15)20(27)25-8-2-7-24(9-10-25)13-18-14-26-12-17(21)3-4-19(26)23-18/h3-4,12,14-16,22H,2,5-11,13H2,1H3/t15-,16-/m0/s1
InChIKeyMRNIEVLGCOKKRR-HOTGVXAUSA-N
XLogP2.41
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]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]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 95774661
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
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120632580
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120631483
[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 134043496
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634302
N-[5-[(3S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97344362
[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120625408
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120631405

Frequently Asked Questions

What is the IUPAC name of [4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The IUPAC name of [4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone (CID 120634963) is [4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone.
What is the SMILES notation for [4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The canonical SMILES for [4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone is C[C@H]1C[C@@H](C(=O)N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)CCN1.
What is the InChIKey of [4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The InChIKey is MRNIEVLGCOKKRR-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H28ClN5O/c1-15-11-16(5-6-22-15)20(27)25-8-2-7-24(9-10-25)13-18-14-26-12-17(21)3-4-19(26)23-18/h3-4,12,14-16,22H,2,5-11,13H2,1H3/t15-,16-/m0/s1.
What are the key properties of [4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone has a molecular weight of 389.93 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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]-[(2S,4S)-2-methylpiperidin-4-yl]methanone is sourced from PubChem (CID 120634963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).