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

C15H18ClN3O3 — CID 175944887

IUPAC4-(6-chloro-3-cyclopropyl-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid
SMILESCCOc1nc(Cl)cc2c1c(C1CC1)nn2CCCC(=O)O
InChIInChI=1S/C15H18ClN3O3/c1-2-22-15-13-10(8-11(16)17-15)19(7-3-4-12(20)21)18-14(13)9-5-6-9/h8-9H,2-7H2,1H3,(H,20,21)
InChIKeyGBXWDXLTYNASEV-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.23
Rot. Bonds7

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

4-(6-chloro-3-cyclopropyl-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid (PubChem CID 175944887) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 4-(6-chloro-3-cyclopropyl-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(6-chloro-3-cyclopropyl-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid
PubChem CID175944887
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name4-(6-chloro-3-cyclopropyl-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid
SMILESCCOc1nc(Cl)cc2c1c(C1CC1)nn2CCCC(=O)O
InChIInChI=1S/C15H18ClN3O3/c1-2-22-15-13-10(8-11(16)17-15)19(7-3-4-12(20)21)18-14(13)9-5-6-9/h8-9H,2-7H2,1H3,(H,20,21)
InChIKeyGBXWDXLTYNASEV-UHFFFAOYSA-N
XLogP3.23
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.23
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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Related Compounds

2-(6-Chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)acetic acid
CID 175944889
4-[3-(Benzylamino)-6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl]butanoic acid
CID 175944894
4-(6-Chloro-4-ethoxy-3-pyridin-4-ylpyrazolo[4,3-c]pyridin-1-yl)butanoic acid
CID 175944896
4-[6-Chloro-4-ethoxy-3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]butanoic acid
CID 175944898
2-(6-Chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)ethanol
CID 175944904
2-(6-Chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)acetic acid
CID 175944909
4-(6-Chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid
CID 170453335
3-(6-Chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)propanoic acid
CID 177381483
3-(6-Chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)propan-1-ol
CID 177381484
3-(6-Chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)propanoic acid
CID 177649861
4-(6-Chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)butan-1-ol
CID 177649878
4-(6-Chloro-3-cyclohexyl-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid
CID 177652390

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-3-cyclopropyl-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid?
The IUPAC name of 4-(6-chloro-3-cyclopropyl-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid (CID 175944887) is 4-(6-chloro-3-cyclopropyl-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid.
What is the SMILES notation for 4-(6-chloro-3-cyclopropyl-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid?
The canonical SMILES for 4-(6-chloro-3-cyclopropyl-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid is CCOc1nc(Cl)cc2c1c(C1CC1)nn2CCCC(=O)O.
What is the InChIKey of 4-(6-chloro-3-cyclopropyl-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid?
The InChIKey is GBXWDXLTYNASEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-2-22-15-13-10(8-11(16)17-15)19(7-3-4-12(20)21)18-14(13)9-5-6-9/h8-9H,2-7H2,1H3,(H,20,21).
What are the key properties of 4-(6-chloro-3-cyclopropyl-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid?
4-(6-chloro-3-cyclopropyl-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid has a molecular weight of 323.78 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-3-cyclopropyl-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid is sourced from PubChem (CID 175944887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).