4-[1-[2-chloro-4-(2-methoxyethoxy)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid

C24H19ClFN3O5 — CID 73296399

IUPAC4-[1-[2-chloro-4-(2-methoxyethoxy)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
SMILESCOCCOc1cc(C)c(C(=O)n2nc(-c3ccc(C(=O)O)cc3F)c3ncccc32)c(Cl)c1
InChIInChI=1S/C24H19ClFN3O5/c1-13-10-15(34-9-8-33-2)12-17(25)20(13)23(30)29-19-4-3-7-27-22(19)21(28-29)16-6-5-14(24(31)32)11-18(16)26/h3-7,10-12H,8-9H2,1-2H3,(H,31,32)
InChIKeyOEJKIMIEMMNCSZ-UHFFFAOYSA-N
MW483.88 g/mol
LogP4.61
Rot. Bonds7

About 4-[1-[2-chloro-4-(2-methoxyethoxy)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid

4-[1-[2-chloro-4-(2-methoxyethoxy)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid (PubChem CID 73296399) has the molecular formula C24H19ClFN3O5 and a molecular weight of 483.88 g/mol. Its IUPAC name is 4-[1-[2-chloro-4-(2-methoxyethoxy)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[1-[2-chloro-4-(2-methoxyethoxy)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
PubChem CID73296399
Molecular FormulaC24H19ClFN3O5
Molecular Weight483.88 g/mol
Exact Mass483.10
IUPAC Name4-[1-[2-chloro-4-(2-methoxyethoxy)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
SMILESCOCCOc1cc(C)c(C(=O)n2nc(-c3ccc(C(=O)O)cc3F)c3ncccc32)c(Cl)c1
InChIInChI=1S/C24H19ClFN3O5/c1-13-10-15(34-9-8-33-2)12-17(25)20(13)23(30)29-19-4-3-7-27-22(19)21(28-29)16-6-5-14(24(31)32)11-18(16)26/h3-7,10-12H,8-9H2,1-2H3,(H,31,32)
InChIKeyOEJKIMIEMMNCSZ-UHFFFAOYSA-N
XLogP4.61
TPSA103.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.88
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-chloro-4-(2-methoxyethoxy)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid?
The IUPAC name of 4-[1-[2-chloro-4-(2-methoxyethoxy)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid (CID 73296399) is 4-[1-[2-chloro-4-(2-methoxyethoxy)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[1-[2-chloro-4-(2-methoxyethoxy)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid?
The canonical SMILES for 4-[1-[2-chloro-4-(2-methoxyethoxy)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid is COCCOc1cc(C)c(C(=O)n2nc(-c3ccc(C(=O)O)cc3F)c3ncccc32)c(Cl)c1.
What is the InChIKey of 4-[1-[2-chloro-4-(2-methoxyethoxy)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid?
The InChIKey is OEJKIMIEMMNCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O5/c1-13-10-15(34-9-8-33-2)12-17(25)20(13)23(30)29-19-4-3-7-27-22(19)21(28-29)16-6-5-14(24(31)32)11-18(16)26/h3-7,10-12H,8-9H2,1-2H3,(H,31,32).
What are the key properties of 4-[1-[2-chloro-4-(2-methoxyethoxy)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid?
4-[1-[2-chloro-4-(2-methoxyethoxy)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid has a molecular weight of 483.88 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-chloro-4-(2-methoxyethoxy)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid is sourced from PubChem (CID 73296399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).