2-(3,5-dichlorophenyl)-1-[(3S)-3-[2-(2-methoxyethoxy)imidazo[4,5-b]pyridin-1-yl]piperidin-1-yl]ethanone

C22H24Cl2N4O3 — CID 178098494

IUPAC2-(3,5-dichlorophenyl)-1-[(3S)-3-[2-(2-methoxyethoxy)imidazo[4,5-b]pyridin-1-yl]piperidin-1-yl]ethanone
SMILESCOCCOc1nc2ncccc2n1[C@H]1CCCN(C(=O)Cc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C22H24Cl2N4O3/c1-30-8-9-31-22-26-21-19(5-2-6-25-21)28(22)18-4-3-7-27(14-18)20(29)12-15-10-16(23)13-17(24)11-15/h2,5-6,10-11,13,18H,3-4,7-9,12,14H2,1H3/t18-/m0/s1
InChIKeyOAWAVSDGGKVWAE-SFHVURJKSA-N
MW463.37 g/mol
LogP4.17
Rot. Bonds7

About 2-(3,5-dichlorophenyl)-1-[(3S)-3-[2-(2-methoxyethoxy)imidazo[4,5-b]pyridin-1-yl]piperidin-1-yl]ethanone

2-(3,5-dichlorophenyl)-1-[(3S)-3-[2-(2-methoxyethoxy)imidazo[4,5-b]pyridin-1-yl]piperidin-1-yl]ethanone (PubChem CID 178098494) has the molecular formula C22H24Cl2N4O3 and a molecular weight of 463.37 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-1-[(3S)-3-[2-(2-methoxyethoxy)imidazo[4,5-b]pyridin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-1-[(3S)-3-[2-(2-methoxyethoxy)imidazo[4,5-b]pyridin-1-yl]piperidin-1-yl]ethanone
PubChem CID178098494
Molecular FormulaC22H24Cl2N4O3
Molecular Weight463.37 g/mol
Exact Mass462.12
IUPAC Name2-(3,5-dichlorophenyl)-1-[(3S)-3-[2-(2-methoxyethoxy)imidazo[4,5-b]pyridin-1-yl]piperidin-1-yl]ethanone
SMILESCOCCOc1nc2ncccc2n1[C@H]1CCCN(C(=O)Cc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C22H24Cl2N4O3/c1-30-8-9-31-22-26-21-19(5-2-6-25-21)28(22)18-4-3-7-27(14-18)20(29)12-15-10-16(23)13-17(24)11-15/h2,5-6,10-11,13,18H,3-4,7-9,12,14H2,1H3/t18-/m0/s1
InChIKeyOAWAVSDGGKVWAE-SFHVURJKSA-N
XLogP4.17
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3S)-3-(2-aminobenzimidazol-1-yl)piperidin-1-yl]-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanone
CID 178098504
1-[(3S)-1-[2-(3-chloro-5-methoxyphenyl)acetyl]piperidin-3-yl]-3-methyl-6-(methylamino)imidazo[4,5-b]pyridin-2-one
CID 178098553
1-[1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 45250926
1-[(3R)-1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 26398605
6-chloro-3-[(3S)-1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-1H-benzimidazol-2-one
CID 178098467
1-[1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-3-methyl-4H-imidazo[4,5-b]pyridine-2,5-dione
CID 178098680
3-[(3S)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-1H-benzimidazol-2-one
CID 178098665
3-[(3S)-1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-2-oxo-1H-benzimidazole-5-carboxamide
CID 178098613
(3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide
CID 172908612
3-[(3S)-1-[2-(3-bromo-4-methoxyphenyl)acetyl]piperidin-3-yl]-1H-benzimidazol-2-one
CID 178098589
(3S)-3-[1-(2-methoxyethyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]-N-propylpiperidine-1-carboxamide
CID 91909929
2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-3-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136881783

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-1-[(3S)-3-[2-(2-methoxyethoxy)imidazo[4,5-b]pyridin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dichlorophenyl)-1-[(3S)-3-[2-(2-methoxyethoxy)imidazo[4,5-b]pyridin-1-yl]piperidin-1-yl]ethanone (CID 178098494) is 2-(3,5-dichlorophenyl)-1-[(3S)-3-[2-(2-methoxyethoxy)imidazo[4,5-b]pyridin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-1-[(3S)-3-[2-(2-methoxyethoxy)imidazo[4,5-b]pyridin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dichlorophenyl)-1-[(3S)-3-[2-(2-methoxyethoxy)imidazo[4,5-b]pyridin-1-yl]piperidin-1-yl]ethanone is COCCOc1nc2ncccc2n1[C@H]1CCCN(C(=O)Cc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-1-[(3S)-3-[2-(2-methoxyethoxy)imidazo[4,5-b]pyridin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is OAWAVSDGGKVWAE-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24Cl2N4O3/c1-30-8-9-31-22-26-21-19(5-2-6-25-21)28(22)18-4-3-7-27(14-18)20(29)12-15-10-16(23)13-17(24)11-15/h2,5-6,10-11,13,18H,3-4,7-9,12,14H2,1H3/t18-/m0/s1.
What are the key properties of 2-(3,5-dichlorophenyl)-1-[(3S)-3-[2-(2-methoxyethoxy)imidazo[4,5-b]pyridin-1-yl]piperidin-1-yl]ethanone?
2-(3,5-dichlorophenyl)-1-[(3S)-3-[2-(2-methoxyethoxy)imidazo[4,5-b]pyridin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 463.37 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-1-[(3S)-3-[2-(2-methoxyethoxy)imidazo[4,5-b]pyridin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 178098494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).