methyl 4-[[(4R)-4-(2,3-dichlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate

C18H20Cl2N4O3 — CID 39034739

IUPACmethyl 4-[[(4R)-4-(2,3-dichlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1Cl
InChIInChI=1S/C18H20Cl2N4O3/c1-27-14(25)6-3-8-21-18(26)24-9-7-13-16(23-10-22-13)17(24)11-4-2-5-12(19)15(11)20/h2,4-5,10,17H,3,6-9H2,1H3,(H,21,26)(H,22,23)/t17-/m1/s1
InChIKeyQUGWFIQBOWLMTB-QGZVFWFLSA-N
MW411.29 g/mol
LogP3.33
Rot. Bonds5

About methyl 4-[[(4R)-4-(2,3-dichlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate

methyl 4-[[(4R)-4-(2,3-dichlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate (PubChem CID 39034739) has the molecular formula C18H20Cl2N4O3 and a molecular weight of 411.29 g/mol. Its IUPAC name is methyl 4-[[(4R)-4-(2,3-dichlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[(4R)-4-(2,3-dichlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate
PubChem CID39034739
Molecular FormulaC18H20Cl2N4O3
Molecular Weight411.29 g/mol
Exact Mass410.09
IUPAC Namemethyl 4-[[(4R)-4-(2,3-dichlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1Cl
InChIInChI=1S/C18H20Cl2N4O3/c1-27-14(25)6-3-8-21-18(26)24-9-7-13-16(23-10-22-13)17(24)11-4-2-5-12(19)15(11)20/h2,4-5,10,17H,3,6-9H2,1H3,(H,21,26)(H,22,23)/t17-/m1/s1
InChIKeyQUGWFIQBOWLMTB-QGZVFWFLSA-N
XLogP3.33
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-[[(4R)-4-(2,3-dichlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate with MolForge

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Related Compounds

methyl 4-[[(4S)-4-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate
CID 51971394
methyl 4-[[4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate
CID 42649054
methyl 3-[[(4R)-4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate
CID 39378294
methyl 2-[[(4S)-4-(2,3-dichlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 29132347
dimethyl (2S)-2-[[4-(2-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]pentanedioate
CID 42650838
dimethyl (2S)-2-[[(4S)-4-(2-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]pentanedioate
CID 29127861
methyl 3-[[4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]propanoate
CID 42648981
methyl 2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]acetate
CID 29137347
dimethyl (2R)-2-[[(4S)-4-(3-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]pentanedioate
CID 51815800
dimethyl (2R)-2-[[(4R)-4-(5-chloro-2-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]pentanedioate
CID 51808811
dimethyl (2S)-2-[[4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]pentanedioate
CID 42651678
dimethyl (2S)-2-[[(4R)-4-(2-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanedioate
CID 39378117

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(4R)-4-(2,3-dichlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate?
The IUPAC name of methyl 4-[[(4R)-4-(2,3-dichlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate (CID 39034739) is methyl 4-[[(4R)-4-(2,3-dichlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate.
What is the SMILES notation for methyl 4-[[(4R)-4-(2,3-dichlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate?
The canonical SMILES for methyl 4-[[(4R)-4-(2,3-dichlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate is COC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1Cl.
What is the InChIKey of methyl 4-[[(4R)-4-(2,3-dichlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate?
The InChIKey is QUGWFIQBOWLMTB-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20Cl2N4O3/c1-27-14(25)6-3-8-21-18(26)24-9-7-13-16(23-10-22-13)17(24)11-4-2-5-12(19)15(11)20/h2,4-5,10,17H,3,6-9H2,1H3,(H,21,26)(H,22,23)/t17-/m1/s1.
What are the key properties of methyl 4-[[(4R)-4-(2,3-dichlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate?
methyl 4-[[(4R)-4-(2,3-dichlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate has a molecular weight of 411.29 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(4R)-4-(2,3-dichlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate is sourced from PubChem (CID 39034739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).