methyl (6S)-5-benzoyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

C18H21N3O3 — CID 26745510

IUPACmethyl (6S)-5-benzoyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)[C@@H]1Cc2ncn(C(C)C)c2CN1C(=O)c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-12(2)21-11-19-14-9-15(18(23)24-3)20(10-16(14)21)17(22)13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3/t15-/m0/s1
InChIKeyVQDCBLVZBMAKOX-HNNXBMFYSA-N
MW327.38 g/mol
LogP2.20
Rot. Bonds3

About methyl (6S)-5-benzoyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

methyl (6S)-5-benzoyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 26745510) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl (6S)-5-benzoyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-5-benzoyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID26745510
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Namemethyl (6S)-5-benzoyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)[C@@H]1Cc2ncn(C(C)C)c2CN1C(=O)c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-12(2)21-11-19-14-9-15(18(23)24-3)20(10-16(14)21)17(22)13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3/t15-/m0/s1
InChIKeyVQDCBLVZBMAKOX-HNNXBMFYSA-N
XLogP2.20
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (6S)-5-benzoyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate with MolForge

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Related Compounds

methyl (6S)-5-[4-(dimethylamino)benzoyl]-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745522
methyl (6S)-5-(2-phenylacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745518
methyl 5-acetyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 74443201
methyl (6S)-5-(2-phenoxyacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745517
methyl (6R)-5-benzoyl-3-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 162959512
methyl 5-benzoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
CID 74508494
methyl (6S)-3-benzyl-5-[4-(dimethylamino)benzoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 25317673
methyl (6S)-5-acetyl-3-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 14457639
methyl (6R)-3-[(4-chlorophenyl)methyl]-5-(4-fluorobenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 162821329
dimethyl (2R,4S)-1-benzoyl-5-oxopiperidine-2,4-dicarboxylate
CID 95731671
methyl 3-benzyl-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 74443176
methyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 74443179

Frequently Asked Questions

What is the IUPAC name of methyl (6S)-5-benzoyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl (6S)-5-benzoyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (CID 26745510) is methyl (6S)-5-benzoyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl (6S)-5-benzoyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl (6S)-5-benzoyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is COC(=O)[C@@H]1Cc2ncn(C(C)C)c2CN1C(=O)c1ccccc1.
What is the InChIKey of methyl (6S)-5-benzoyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is VQDCBLVZBMAKOX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12(2)21-11-19-14-9-15(18(23)24-3)20(10-16(14)21)17(22)13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3/t15-/m0/s1.
What are the key properties of methyl (6S)-5-benzoyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
methyl (6S)-5-benzoyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-5-benzoyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 26745510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).