1-ethyl-5-(oxolane-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid

C14H19N3O4 — CID 134078751

IUPAC1-ethyl-5-(oxolane-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
SMILESCCn1cnc2c1C(C(=O)O)CN(C(=O)C1CCOC1)C2
InChIInChI=1S/C14H19N3O4/c1-2-16-8-15-11-6-17(5-10(12(11)16)14(19)20)13(18)9-3-4-21-7-9/h8-10H,2-7H2,1H3,(H,19,20)
InChIKeyNQJVSKGKXFYKFQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.45
Rot. Bonds3

About 1-ethyl-5-(oxolane-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid

1-ethyl-5-(oxolane-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid (PubChem CID 134078751) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-ethyl-5-(oxolane-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-(oxolane-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
PubChem CID134078751
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-ethyl-5-(oxolane-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
SMILESCCn1cnc2c1C(C(=O)O)CN(C(=O)C1CCOC1)C2
InChIInChI=1S/C14H19N3O4/c1-2-16-8-15-11-6-17(5-10(12(11)16)14(19)20)13(18)9-3-4-21-7-9/h8-10H,2-7H2,1H3,(H,19,20)
InChIKeyNQJVSKGKXFYKFQ-UHFFFAOYSA-N
XLogP0.45
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(oxolan-3-yl)methanone
CID 121184532
1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
CID 134076240
(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 94917604
(1-ethylimidazol-4-yl)-(oxolan-3-yl)methanone
CID 126976704
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129329650
6-tert-butyl-3-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944242
(3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid
CID 81118874
[4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129470938
[(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone
CID 129354509
[6-[2-(dimethylamino)ethoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(oxolan-3-yl)methanone
CID 131656052
[(6R)-6-[2-(dimethylamino)ethoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-[(3R)-oxolan-3-yl]methanone
CID 97389161
[6-(4-methylpiperazine-1-carbonyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[1,5-a][1,4]diazepin-8-yl]-(oxolan-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155869300

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(oxolane-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The IUPAC name of 1-ethyl-5-(oxolane-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid (CID 134078751) is 1-ethyl-5-(oxolane-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-(oxolane-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The canonical SMILES for 1-ethyl-5-(oxolane-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid is CCn1cnc2c1C(C(=O)O)CN(C(=O)C1CCOC1)C2.
What is the InChIKey of 1-ethyl-5-(oxolane-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The InChIKey is NQJVSKGKXFYKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-16-8-15-11-6-17(5-10(12(11)16)14(19)20)13(18)9-3-4-21-7-9/h8-10H,2-7H2,1H3,(H,19,20).
What are the key properties of 1-ethyl-5-(oxolane-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
1-ethyl-5-(oxolane-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(oxolane-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 134078751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).