methyl 5-(4-methoxybenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate

C16H17N3O4 — CID 74508493

IUPACmethyl 5-(4-methoxybenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)C1Cc2nc[nH]c2CN1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H17N3O4/c1-22-11-5-3-10(4-6-11)15(20)19-8-13-12(17-9-18-13)7-14(19)16(21)23-2/h3-6,9,14H,7-8H2,1-2H3,(H,17,18)
InChIKeyASFHOTMVEIXNHN-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.16
Rot. Bonds3

About methyl 5-(4-methoxybenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate

methyl 5-(4-methoxybenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 74508493) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl 5-(4-methoxybenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methoxybenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
PubChem CID74508493
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Namemethyl 5-(4-methoxybenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)C1Cc2nc[nH]c2CN1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H17N3O4/c1-22-11-5-3-10(4-6-11)15(20)19-8-13-12(17-9-18-13)7-14(19)16(21)23-2/h3-6,9,14H,7-8H2,1-2H3,(H,17,18)
InChIKeyASFHOTMVEIXNHN-UHFFFAOYSA-N
XLogP1.16
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-benzoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
CID 74508494
(4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 74507740
5-[(4-methoxyphenyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403645
[(6S)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone
CID 26745126
[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone
CID 74507745
methyl (6S)-5-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
CID 95210195
methyl 5-(2-indazol-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
CID 45228699
(6R)-5-[6-(dimethylamino)pyridine-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97434426
methyl 5-[3-(1-methylpiperidin-4-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
CID 56859864
5-(6-chloropyridine-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344437
methyl 1-(4-methoxybenzoyl)piperazine-2-carboxylate
CID 78454906
methyl 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 19011715

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methoxybenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl 5-(4-methoxybenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate (CID 74508493) is methyl 5-(4-methoxybenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 5-(4-methoxybenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 5-(4-methoxybenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate is COC(=O)C1Cc2nc[nH]c2CN1C(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 5-(4-methoxybenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is ASFHOTMVEIXNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-22-11-5-3-10(4-6-11)15(20)19-8-13-12(17-9-18-13)7-14(19)16(21)23-2/h3-6,9,14H,7-8H2,1-2H3,(H,17,18).
What are the key properties of methyl 5-(4-methoxybenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
methyl 5-(4-methoxybenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methoxybenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 74508493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).