4-[5-(morpholine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid

C18H20N4O4 — CID 91767992

IUPAC4-[5-(morpholine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc3c([nH]2)CN(C(=O)N2CCOCC2)CC3)cc1
InChIInChI=1S/C18H20N4O4/c23-17(24)13-3-1-12(2-4-13)16-19-14-5-6-22(11-15(14)20-16)18(25)21-7-9-26-10-8-21/h1-4H,5-11H2,(H,19,20)(H,23,24)
InChIKeyHMERTIMODJADNE-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.59
Rot. Bonds2

About 4-[5-(morpholine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid

4-[5-(morpholine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid (PubChem CID 91767992) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-[5-(morpholine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(morpholine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
PubChem CID91767992
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name4-[5-(morpholine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc3c([nH]2)CN(C(=O)N2CCOCC2)CC3)cc1
InChIInChI=1S/C18H20N4O4/c23-17(24)13-3-1-12(2-4-13)16-19-14-5-6-22(11-15(14)20-16)18(25)21-7-9-26-10-8-21/h1-4H,5-11H2,(H,19,20)(H,23,24)
InChIKeyHMERTIMODJADNE-UHFFFAOYSA-N
XLogP1.59
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(morpholine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid?
The IUPAC name of 4-[5-(morpholine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid (CID 91767992) is 4-[5-(morpholine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid.
What is the SMILES notation for 4-[5-(morpholine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid?
The canonical SMILES for 4-[5-(morpholine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid is O=C(O)c1ccc(-c2nc3c([nH]2)CN(C(=O)N2CCOCC2)CC3)cc1.
What is the InChIKey of 4-[5-(morpholine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid?
The InChIKey is HMERTIMODJADNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c23-17(24)13-3-1-12(2-4-13)16-19-14-5-6-22(11-15(14)20-16)18(25)21-7-9-26-10-8-21/h1-4H,5-11H2,(H,19,20)(H,23,24).
What are the key properties of 4-[5-(morpholine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid?
4-[5-(morpholine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid has a molecular weight of 356.38 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(morpholine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid is sourced from PubChem (CID 91767992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).