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

C17H17ClN4O3 — CID 175944896

IUPAC4-(6-chloro-4-ethoxy-3-pyridin-4-ylpyrazolo[4,3-c]pyridin-1-yl)butanoic acid
SMILESCCOc1nc(Cl)cc2c1c(-c1ccncc1)nn2CCCC(=O)O
InChIInChI=1S/C17H17ClN4O3/c1-2-25-17-15-12(10-13(18)20-17)22(9-3-4-14(23)24)21-16(15)11-5-7-19-8-6-11/h5-8,10H,2-4,9H2,1H3,(H,23,24)
InChIKeyGOKMCCITYIBGLF-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.41
Rot. Bonds7

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

4-(6-chloro-4-ethoxy-3-pyridin-4-ylpyrazolo[4,3-c]pyridin-1-yl)butanoic acid (PubChem CID 175944896) has the molecular formula C17H17ClN4O3 and a molecular weight of 360.80 g/mol. Its IUPAC name is 4-(6-chloro-4-ethoxy-3-pyridin-4-ylpyrazolo[4,3-c]pyridin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(6-chloro-4-ethoxy-3-pyridin-4-ylpyrazolo[4,3-c]pyridin-1-yl)butanoic acid
PubChem CID175944896
Molecular FormulaC17H17ClN4O3
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC Name4-(6-chloro-4-ethoxy-3-pyridin-4-ylpyrazolo[4,3-c]pyridin-1-yl)butanoic acid
SMILESCCOc1nc(Cl)cc2c1c(-c1ccncc1)nn2CCCC(=O)O
InChIInChI=1S/C17H17ClN4O3/c1-2-25-17-15-12(10-13(18)20-17)22(9-3-4-14(23)24)21-16(15)11-5-7-19-8-6-11/h5-8,10H,2-4,9H2,1H3,(H,23,24)
InChIKeyGOKMCCITYIBGLF-UHFFFAOYSA-N
XLogP3.41
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-ethoxy-3-pyridin-4-ylpyrazolo[4,3-c]pyridin-1-yl)butanoic acid?
The IUPAC name of 4-(6-chloro-4-ethoxy-3-pyridin-4-ylpyrazolo[4,3-c]pyridin-1-yl)butanoic acid (CID 175944896) is 4-(6-chloro-4-ethoxy-3-pyridin-4-ylpyrazolo[4,3-c]pyridin-1-yl)butanoic acid.
What is the SMILES notation for 4-(6-chloro-4-ethoxy-3-pyridin-4-ylpyrazolo[4,3-c]pyridin-1-yl)butanoic acid?
The canonical SMILES for 4-(6-chloro-4-ethoxy-3-pyridin-4-ylpyrazolo[4,3-c]pyridin-1-yl)butanoic acid is CCOc1nc(Cl)cc2c1c(-c1ccncc1)nn2CCCC(=O)O.
What is the InChIKey of 4-(6-chloro-4-ethoxy-3-pyridin-4-ylpyrazolo[4,3-c]pyridin-1-yl)butanoic acid?
The InChIKey is GOKMCCITYIBGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3/c1-2-25-17-15-12(10-13(18)20-17)22(9-3-4-14(23)24)21-16(15)11-5-7-19-8-6-11/h5-8,10H,2-4,9H2,1H3,(H,23,24).
What are the key properties of 4-(6-chloro-4-ethoxy-3-pyridin-4-ylpyrazolo[4,3-c]pyridin-1-yl)butanoic acid?
4-(6-chloro-4-ethoxy-3-pyridin-4-ylpyrazolo[4,3-c]pyridin-1-yl)butanoic acid has a molecular weight of 360.80 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-4-ethoxy-3-pyridin-4-ylpyrazolo[4,3-c]pyridin-1-yl)butanoic acid is sourced from PubChem (CID 175944896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).