4-[1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid

C21H14ClF2N3O3 — CID 73294700

IUPAC4-[1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
SMILESCOc1ccc(F)c(Cn2nc(-c3ccc(C(=O)O)cc3F)c3ncccc32)c1Cl
InChIInChI=1S/C21H14ClF2N3O3/c1-30-17-7-6-14(23)13(18(17)22)10-27-16-3-2-8-25-20(16)19(26-27)12-5-4-11(21(28)29)9-15(12)24/h2-9H,10H2,1H3,(H,28,29)
InChIKeyWUFBYPPOWBWJHP-UHFFFAOYSA-N
MW429.81 g/mol
LogP4.78
Rot. Bonds5

About 4-[1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid

4-[1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid (PubChem CID 73294700) has the molecular formula C21H14ClF2N3O3 and a molecular weight of 429.81 g/mol. Its IUPAC name is 4-[1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
PubChem CID73294700
Molecular FormulaC21H14ClF2N3O3
Molecular Weight429.81 g/mol
Exact Mass429.07
IUPAC Name4-[1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
SMILESCOc1ccc(F)c(Cn2nc(-c3ccc(C(=O)O)cc3F)c3ncccc32)c1Cl
InChIInChI=1S/C21H14ClF2N3O3/c1-30-17-7-6-14(23)13(18(17)22)10-27-16-3-2-8-25-20(16)19(26-27)12-5-4-11(21(28)29)9-15(12)24/h2-9H,10H2,1H3,(H,28,29)
InChIKeyWUFBYPPOWBWJHP-UHFFFAOYSA-N
XLogP4.78
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.81
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid?
The IUPAC name of 4-[1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid (CID 73294700) is 4-[1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid?
The canonical SMILES for 4-[1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid is COc1ccc(F)c(Cn2nc(-c3ccc(C(=O)O)cc3F)c3ncccc32)c1Cl.
What is the InChIKey of 4-[1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid?
The InChIKey is WUFBYPPOWBWJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2N3O3/c1-30-17-7-6-14(23)13(18(17)22)10-27-16-3-2-8-25-20(16)19(26-27)12-5-4-11(21(28)29)9-15(12)24/h2-9H,10H2,1H3,(H,28,29).
What are the key properties of 4-[1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid?
4-[1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid has a molecular weight of 429.81 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid is sourced from PubChem (CID 73294700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).