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

C19H23N3O4 — CID 26745517

IUPACmethyl (6S)-5-(2-phenoxyacetyl)-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)COc1ccccc1
InChIInChI=1S/C19H23N3O4/c1-13(2)22-12-20-15-9-16(19(24)25-3)21(10-17(15)22)18(23)11-26-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3/t16-/m0/s1
InChIKeyIZGGTHHKJBNKJC-INIZCTEOSA-N
MW357.41 g/mol
LogP1.97
Rot. Bonds5

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

methyl (6S)-5-(2-phenoxyacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 26745517) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl (6S)-5-(2-phenoxyacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-5-(2-phenoxyacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID26745517
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Namemethyl (6S)-5-(2-phenoxyacetyl)-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)COc1ccccc1
InChIInChI=1S/C19H23N3O4/c1-13(2)22-12-20-15-9-16(19(24)25-3)21(10-17(15)22)18(23)11-26-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3/t16-/m0/s1
InChIKeyIZGGTHHKJBNKJC-INIZCTEOSA-N
XLogP1.97
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (6S)-5-benzoyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745510
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-methoxyacetyl)-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745461
methyl 3-benzyl-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 74443176
methyl (6S)-3-[(4-chlorophenyl)methyl]-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745487
methyl (6R)-5-benzoyl-3-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 162959512
methyl 2-[2-[methyl(2-phenoxyethyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 47010808
(2S)-N-methyl-1-(2-phenoxyacetyl)-4-propan-2-ylpiperazine-2-carboxamide
CID 125018124
(2S,4Z)-4-methoxyimino-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide
CID 10181155
(4Z)-4-methoxyimino-N-(naphthalen-1-ylmethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide
CID 10224687
methyl 5-(2,2-dimethylpropanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 74443207
methyl 2-[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 55410566

Frequently Asked Questions

What is the IUPAC name of methyl (6S)-5-(2-phenoxyacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl (6S)-5-(2-phenoxyacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (CID 26745517) is methyl (6S)-5-(2-phenoxyacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl (6S)-5-(2-phenoxyacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl (6S)-5-(2-phenoxyacetyl)-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)COc1ccccc1.
What is the InChIKey of methyl (6S)-5-(2-phenoxyacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is IZGGTHHKJBNKJC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13(2)22-12-20-15-9-16(19(24)25-3)21(10-17(15)22)18(23)11-26-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3/t16-/m0/s1.
What are the key properties of methyl (6S)-5-(2-phenoxyacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
methyl (6S)-5-(2-phenoxyacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-5-(2-phenoxyacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 26745517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).