methyl 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

C32H34N4O3 — CID 14403636

IUPACmethyl 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)C1Cc2c(ncn2Cc2ccc(N(C)C)c(C)c2)CN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H34N4O3/c1-22-17-23(15-16-27(22)34(2)3)19-35-21-33-26-20-36(29(18-28(26)35)32(38)39-4)31(37)30(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-17,21,29-30H,18-20H2,1-4H3
InChIKeyOZVIYLVUTZIPFY-UHFFFAOYSA-N
MW522.65 g/mol
LogP4.56
Rot. Bonds7

About methyl 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

methyl 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 14403636) has the molecular formula C32H34N4O3 and a molecular weight of 522.65 g/mol. Its IUPAC name is methyl 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID14403636
Molecular FormulaC32H34N4O3
Molecular Weight522.65 g/mol
Exact Mass522.26
IUPAC Namemethyl 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)C1Cc2c(ncn2Cc2ccc(N(C)C)c(C)c2)CN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H34N4O3/c1-22-17-23(15-16-27(22)34(2)3)19-35-21-33-26-20-36(29(18-28(26)35)32(38)39-4)31(37)30(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-17,21,29-30H,18-20H2,1-4H3
InChIKeyOZVIYLVUTZIPFY-UHFFFAOYSA-N
XLogP4.56
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.65
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (CID 14403636) is methyl 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is COC(=O)C1Cc2c(ncn2Cc2ccc(N(C)C)c(C)c2)CN1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is OZVIYLVUTZIPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O3/c1-22-17-23(15-16-27(22)34(2)3)19-35-21-33-26-20-36(29(18-28(26)35)32(38)39-4)31(37)30(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-17,21,29-30H,18-20H2,1-4H3.
What are the key properties of methyl 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
methyl 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 522.65 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 14403636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).