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

C19H23N3O3 — CID 26745518

IUPACmethyl (6S)-5-(2-phenylacetyl)-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)Cc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-13(2)22-12-20-15-10-16(19(24)25-3)21(11-17(15)22)18(23)9-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3/t16-/m0/s1
InChIKeyHCTLSZAZTFLLAU-INIZCTEOSA-N
MW341.41 g/mol
LogP2.13
Rot. Bonds4

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

methyl (6S)-5-(2-phenylacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 26745518) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl (6S)-5-(2-phenylacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-5-(2-phenylacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID26745518
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namemethyl (6S)-5-(2-phenylacetyl)-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)Cc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-13(2)22-12-20-15-10-16(19(24)25-3)21(11-17(15)22)18(23)9-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3/t16-/m0/s1
InChIKeyHCTLSZAZTFLLAU-INIZCTEOSA-N
XLogP2.13
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (6S)-5-(2-phenylacetyl)-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-(2-phenoxyacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745517
methyl (6S)-5-benzoyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745510
methyl 5-acetyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 74443201
methyl (6S)-5-[4-(dimethylamino)benzoyl]-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745522
methyl 3-benzyl-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 74443176
methyl (6S)-5-acetyl-3-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 14457639
methyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 74443179
methyl (6R)-5-benzoyl-3-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 162959512
methyl (6S)-3-[(4-chlorophenyl)methyl]-5-(2-methoxyacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745487
methyl (6S)-5-(2-methoxyacetyl)-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745461
methyl (6S)-3-benzyl-5-[4-(dimethylamino)benzoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 25317673
methyl 5-(2,2-dimethylpropanoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 74443207

Frequently Asked Questions

What is the IUPAC name of methyl (6S)-5-(2-phenylacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl (6S)-5-(2-phenylacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (CID 26745518) is methyl (6S)-5-(2-phenylacetyl)-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-phenylacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl (6S)-5-(2-phenylacetyl)-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)Cc1ccccc1.
What is the InChIKey of methyl (6S)-5-(2-phenylacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is HCTLSZAZTFLLAU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(2)22-12-20-15-10-16(19(24)25-3)21(11-17(15)22)18(23)9-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3/t16-/m0/s1.
What are the key properties of methyl (6S)-5-(2-phenylacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
methyl (6S)-5-(2-phenylacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-5-(2-phenylacetyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 26745518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).