4-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid

C12H14ClN3O3 — CID 170453335

IUPAC4-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid
SMILESCCOc1nc(Cl)cc2c1cnn2CCCC(=O)O
InChIInChI=1S/C12H14ClN3O3/c1-2-19-12-8-7-14-16(5-3-4-11(17)18)9(8)6-10(13)15-12/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyORJBTOMBSAJTJW-UHFFFAOYSA-N
MW283.72 g/mol
LogP2.35
Rot. Bonds6

About 4-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid

4-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid (PubChem CID 170453335) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.72 g/mol. Its IUPAC name is 4-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid
PubChem CID170453335
Molecular FormulaC12H14ClN3O3
Molecular Weight283.72 g/mol
Exact Mass283.07
IUPAC Name4-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid
SMILESCCOc1nc(Cl)cc2c1cnn2CCCC(=O)O
InChIInChI=1S/C12H14ClN3O3/c1-2-19-12-8-7-14-16(5-3-4-11(17)18)9(8)6-10(13)15-12/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyORJBTOMBSAJTJW-UHFFFAOYSA-N
XLogP2.35
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid?
The IUPAC name of 4-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid (CID 170453335) is 4-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid.
What is the SMILES notation for 4-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid?
The canonical SMILES for 4-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid is CCOc1nc(Cl)cc2c1cnn2CCCC(=O)O.
What is the InChIKey of 4-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid?
The InChIKey is ORJBTOMBSAJTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c1-2-19-12-8-7-14-16(5-3-4-11(17)18)9(8)6-10(13)15-12/h6-7H,2-5H2,1H3,(H,17,18).
What are the key properties of 4-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid?
4-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid has a molecular weight of 283.72 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid is sourced from PubChem (CID 170453335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).