4-[ethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid

C14H18N4O3 — CID 103385115

IUPAC4-[ethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCCN(c1nccc2c1ncn2C)C1COCC1C(=O)O
InChIInChI=1S/C14H18N4O3/c1-3-18(11-7-21-6-9(11)14(19)20)13-12-10(4-5-15-13)17(2)8-16-12/h4-5,8-9,11H,3,6-7H2,1-2H3,(H,19,20)
InChIKeyDYRPGZNBFFHMFD-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.89
Rot. Bonds4

About 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid

4-[ethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 103385115) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID103385115
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name4-[ethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCCN(c1nccc2c1ncn2C)C1COCC1C(=O)O
InChIInChI=1S/C14H18N4O3/c1-3-18(11-7-21-6-9(11)14(19)20)13-12-10(4-5-15-13)17(2)8-16-12/h4-5,8-9,11H,3,6-7H2,1-2H3,(H,19,20)
InChIKeyDYRPGZNBFFHMFD-UHFFFAOYSA-N
XLogP0.89
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid
CID 66246649
4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid
CID 66247052
4-[ethyl-(5-nitropyrimidin-2-yl)amino]oxolane-3-carboxylic acid
CID 66245466
4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66246701
4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid
CID 66247641
N'-ethyl-N'-(1-methylimidazo[4,5-c]pyridin-4-yl)propane-1,3-diamine
CID 103385181
4-(N-ethyl-4-nitroanilino)oxolane-3-carboxylic acid
CID 66245464
4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 106752679
4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245923
4-[(1-methyl-4-nitropyrazol-3-yl)-propylamino]oxolane-3-carboxylic acid
CID 103079363
4-[(2-cyano-4-pyridinyl)-propylamino]oxolane-3-carboxylic acid
CID 66252252
4-[ethyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 114558024

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid (CID 103385115) is 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid is CCN(c1nccc2c1ncn2C)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is DYRPGZNBFFHMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-3-18(11-7-21-6-9(11)14(19)20)13-12-10(4-5-15-13)17(2)8-16-12/h4-5,8-9,11H,3,6-7H2,1-2H3,(H,19,20).
What are the key properties of 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(1-methylimidazo[4,5-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 103385115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).