5-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C17H20N4O5 — CID 72923893

IUPAC5-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2nc[nH]c2CN1C(=O)c1coc(CN2CCOCC2)c1
InChIInChI=1S/C17H20N4O5/c22-16(11-5-12(26-9-11)7-20-1-3-25-4-2-20)21-8-14-13(18-10-19-14)6-15(21)17(23)24/h5,9-10,15H,1-4,6-8H2,(H,18,19)(H,23,24)
InChIKeyMWQCCSMMURQZEO-UHFFFAOYSA-N
MW360.37 g/mol
LogP0.49
Rot. Bonds4

About 5-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 72923893) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 5-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID72923893
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name5-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2nc[nH]c2CN1C(=O)c1coc(CN2CCOCC2)c1
InChIInChI=1S/C17H20N4O5/c22-16(11-5-12(26-9-11)7-20-1-3-25-4-2-20)21-8-14-13(18-10-19-14)6-15(21)17(23)24/h5,9-10,15H,1-4,6-8H2,(H,18,19)(H,23,24)
InChIKeyMWQCCSMMURQZEO-UHFFFAOYSA-N
XLogP0.49
TPSA111.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 72923893) is 5-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)C1Cc2nc[nH]c2CN1C(=O)c1coc(CN2CCOCC2)c1.
What is the InChIKey of 5-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is MWQCCSMMURQZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c22-16(11-5-12(26-9-11)7-20-1-3-25-4-2-20)21-8-14-13(18-10-19-14)6-15(21)17(23)24/h5,9-10,15H,1-4,6-8H2,(H,18,19)(H,23,24).
What are the key properties of 5-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 360.37 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 72923893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).