methyl 3-[[4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate

C23H24N4O5 — CID 42648788

IUPACmethyl 3-[[4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3C2c2cccc(OC)c2OC)c1
InChIInChI=1S/C23H24N4O5/c1-30-18-9-5-8-16(21(18)31-2)20-19-17(24-13-25-19)10-11-27(20)23(29)26-15-7-4-6-14(12-15)22(28)32-3/h4-9,12-13,20H,10-11H2,1-3H3,(H,24,25)(H,26,29)
InChIKeyBIIHJSOQDGCQDS-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.39
Rot. Bonds5

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

methyl 3-[[4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate (PubChem CID 42648788) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is methyl 3-[[4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
PubChem CID42648788
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Namemethyl 3-[[4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3C2c2cccc(OC)c2OC)c1
InChIInChI=1S/C23H24N4O5/c1-30-18-9-5-8-16(21(18)31-2)20-19-17(24-13-25-19)10-11-27(20)23(29)26-15-7-4-6-14(12-15)22(28)32-3/h4-9,12-13,20H,10-11H2,1-3H3,(H,24,25)(H,26,29)
InChIKeyBIIHJSOQDGCQDS-UHFFFAOYSA-N
XLogP3.39
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate (CID 42648788) is methyl 3-[[4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3C2c2cccc(OC)c2OC)c1.
What is the InChIKey of methyl 3-[[4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate?
The InChIKey is BIIHJSOQDGCQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-30-18-9-5-8-16(21(18)31-2)20-19-17(24-13-25-19)10-11-27(20)23(29)26-15-7-4-6-14(12-15)22(28)32-3/h4-9,12-13,20H,10-11H2,1-3H3,(H,24,25)(H,26,29).
What are the key properties of methyl 3-[[4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate?
methyl 3-[[4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate has a molecular weight of 436.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(2,3-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate is sourced from PubChem (CID 42648788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).