6-[(3R)-3-methoxypyrrolidin-1-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid

C14H17N3O3 — CID 154436542

IUPAC6-[(3R)-3-methoxypyrrolidin-1-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCO[C@@H]1CCN(c2ccc3nc(C(=O)O)cn3c2C)C1
InChIInChI=1S/C14H17N3O3/c1-9-12(16-6-5-10(7-16)20-2)3-4-13-15-11(14(18)19)8-17(9)13/h3-4,8,10H,5-7H2,1-2H3,(H,18,19)/t10-/m1/s1
InChIKeyKVWIWOYUXWYVPR-SNVBAGLBSA-N
MW275.31 g/mol
LogP1.57
Rot. Bonds3

About 6-[(3R)-3-methoxypyrrolidin-1-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid

6-[(3R)-3-methoxypyrrolidin-1-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 154436542) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-[(3R)-3-methoxypyrrolidin-1-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3R)-3-methoxypyrrolidin-1-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID154436542
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name6-[(3R)-3-methoxypyrrolidin-1-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCO[C@@H]1CCN(c2ccc3nc(C(=O)O)cn3c2C)C1
InChIInChI=1S/C14H17N3O3/c1-9-12(16-6-5-10(7-16)20-2)3-4-13-15-11(14(18)19)8-17(9)13/h3-4,8,10H,5-7H2,1-2H3,(H,18,19)/t10-/m1/s1
InChIKeyKVWIWOYUXWYVPR-SNVBAGLBSA-N
XLogP1.57
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-methoxypyrrolidin-1-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3R)-3-methoxypyrrolidin-1-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid (CID 154436542) is 6-[(3R)-3-methoxypyrrolidin-1-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3R)-3-methoxypyrrolidin-1-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3R)-3-methoxypyrrolidin-1-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid is CO[C@@H]1CCN(c2ccc3nc(C(=O)O)cn3c2C)C1.
What is the InChIKey of 6-[(3R)-3-methoxypyrrolidin-1-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is KVWIWOYUXWYVPR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-12(16-6-5-10(7-16)20-2)3-4-13-15-11(14(18)19)8-17(9)13/h3-4,8,10H,5-7H2,1-2H3,(H,18,19)/t10-/m1/s1.
What are the key properties of 6-[(3R)-3-methoxypyrrolidin-1-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
6-[(3R)-3-methoxypyrrolidin-1-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-methoxypyrrolidin-1-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 154436542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).