formic acid;3-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]chromen-2-one

C23H19N3O6 — CID 172896427

IUPACformic acid;3-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1Cc2[nH]cnc2C(c2cccc(O)c2)C1.O=CO
InChIInChI=1S/C22H17N3O4.CH2O2/c26-15-6-3-5-13(8-15)17-10-25(11-18-20(17)24-12-23-18)21(27)16-9-14-4-1-2-7-19(14)29-22(16)28;2-1-3/h1-9,12,17,26H,10-11H2,(H,23,24);1H,(H,2,3)
InChIKeyHYFUKOPHDYWSJE-UHFFFAOYSA-N
MW433.42 g/mol
LogP2.71
Rot. Bonds2

About formic acid;3-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]chromen-2-one

formic acid;3-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]chromen-2-one (PubChem CID 172896427) has the molecular formula C23H19N3O6 and a molecular weight of 433.42 g/mol. Its IUPAC name is formic acid;3-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]chromen-2-one.

Molecular Properties

Compound Nameformic acid;3-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]chromen-2-one
PubChem CID172896427
Molecular FormulaC23H19N3O6
Molecular Weight433.42 g/mol
Exact Mass433.13
IUPAC Nameformic acid;3-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1Cc2[nH]cnc2C(c2cccc(O)c2)C1.O=CO
InChIInChI=1S/C22H17N3O4.CH2O2/c26-15-6-3-5-13(8-15)17-10-25(11-18-20(17)24-12-23-18)21(27)16-9-14-4-1-2-7-19(14)29-22(16)28;2-1-3/h1-9,12,17,26H,10-11H2,(H,23,24);1H,(H,2,3)
InChIKeyHYFUKOPHDYWSJE-UHFFFAOYSA-N
XLogP2.71
TPSA136.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;3-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]chromen-2-one?
The IUPAC name of formic acid;3-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]chromen-2-one (CID 172896427) is formic acid;3-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]chromen-2-one.
What is the SMILES notation for formic acid;3-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]chromen-2-one?
The canonical SMILES for formic acid;3-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]chromen-2-one is O=C(c1cc2ccccc2oc1=O)N1Cc2[nH]cnc2C(c2cccc(O)c2)C1.O=CO.
What is the InChIKey of formic acid;3-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]chromen-2-one?
The InChIKey is HYFUKOPHDYWSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4.CH2O2/c26-15-6-3-5-13(8-15)17-10-25(11-18-20(17)24-12-23-18)21(27)16-9-14-4-1-2-7-19(14)29-22(16)28;2-1-3/h1-9,12,17,26H,10-11H2,(H,23,24);1H,(H,2,3).
What are the key properties of formic acid;3-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]chromen-2-one?
formic acid;3-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]chromen-2-one has a molecular weight of 433.42 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]chromen-2-one is sourced from PubChem (CID 172896427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).