7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid

C16H19N3O4 — CID 14209378

IUPAC7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid
SMILESCC(C)C1(C)N=C(c2nc3c(cc2C(=O)O)CCCO3)NC1=O
InChIInChI=1S/C16H19N3O4/c1-8(2)16(3)15(22)18-12(19-16)11-10(14(20)21)7-9-5-4-6-23-13(9)17-11/h7-8H,4-6H2,1-3H3,(H,20,21)(H,18,19,22)
InChIKeyOYDSQUKBMNSNIB-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.40
Rot. Bonds3

About 7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid

7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid (PubChem CID 14209378) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid
PubChem CID14209378
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid
SMILESCC(C)C1(C)N=C(c2nc3c(cc2C(=O)O)CCCO3)NC1=O
InChIInChI=1S/C16H19N3O4/c1-8(2)16(3)15(22)18-12(19-16)11-10(14(20)21)7-9-5-4-6-23-13(9)17-11/h7-8H,4-6H2,1-3H3,(H,20,21)(H,18,19,22)
InChIKeyOYDSQUKBMNSNIB-UHFFFAOYSA-N
XLogP1.40
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid?
The IUPAC name of 7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid (CID 14209378) is 7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid?
The canonical SMILES for 7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid is CC(C)C1(C)N=C(c2nc3c(cc2C(=O)O)CCCO3)NC1=O.
What is the InChIKey of 7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid?
The InChIKey is OYDSQUKBMNSNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-8(2)16(3)15(22)18-12(19-16)11-10(14(20)21)7-9-5-4-6-23-13(9)17-11/h7-8H,4-6H2,1-3H3,(H,20,21)(H,18,19,22).
What are the key properties of 7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid?
7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 14209378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).