4-[2-(3-chloro-5-fluorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]-2-cyclopentylbenzoic acid

C24H18ClF2N3O2 — CID 166128318

IUPAC4-[2-(3-chloro-5-fluorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]-2-cyclopentylbenzoic acid
SMILESO=C(O)c1ccc(-c2c(F)cnc3cn(-c4cc(F)cc(Cl)c4)nc23)cc1C1CCCC1
InChIInChI=1S/C24H18ClF2N3O2/c25-15-8-16(26)10-17(9-15)30-12-21-23(29-30)22(20(27)11-28-21)14-5-6-18(24(31)32)19(7-14)13-3-1-2-4-13/h5-13H,1-4H2,(H,31,32)
InChIKeyCHVZJTNNNARQGK-UHFFFAOYSA-N
MW453.88 g/mol
LogP6.37
Rot. Bonds4

About 4-[2-(3-chloro-5-fluorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]-2-cyclopentylbenzoic acid

4-[2-(3-chloro-5-fluorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]-2-cyclopentylbenzoic acid (PubChem CID 166128318) has the molecular formula C24H18ClF2N3O2 and a molecular weight of 453.88 g/mol. Its IUPAC name is 4-[2-(3-chloro-5-fluorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]-2-cyclopentylbenzoic acid.

Molecular Properties

Compound Name4-[2-(3-chloro-5-fluorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]-2-cyclopentylbenzoic acid
PubChem CID166128318
Molecular FormulaC24H18ClF2N3O2
Molecular Weight453.88 g/mol
Exact Mass453.11
IUPAC Name4-[2-(3-chloro-5-fluorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]-2-cyclopentylbenzoic acid
SMILESO=C(O)c1ccc(-c2c(F)cnc3cn(-c4cc(F)cc(Cl)c4)nc23)cc1C1CCCC1
InChIInChI=1S/C24H18ClF2N3O2/c25-15-8-16(26)10-17(9-15)30-12-21-23(29-30)22(20(27)11-28-21)14-5-6-18(24(31)32)19(7-14)13-3-1-2-4-13/h5-13H,1-4H2,(H,31,32)
InChIKeyCHVZJTNNNARQGK-UHFFFAOYSA-N
XLogP6.37
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.88
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-5-fluorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]-2-cyclopentylbenzoic acid?
The IUPAC name of 4-[2-(3-chloro-5-fluorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]-2-cyclopentylbenzoic acid (CID 166128318) is 4-[2-(3-chloro-5-fluorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]-2-cyclopentylbenzoic acid.
What is the SMILES notation for 4-[2-(3-chloro-5-fluorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]-2-cyclopentylbenzoic acid?
The canonical SMILES for 4-[2-(3-chloro-5-fluorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]-2-cyclopentylbenzoic acid is O=C(O)c1ccc(-c2c(F)cnc3cn(-c4cc(F)cc(Cl)c4)nc23)cc1C1CCCC1.
What is the InChIKey of 4-[2-(3-chloro-5-fluorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]-2-cyclopentylbenzoic acid?
The InChIKey is CHVZJTNNNARQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF2N3O2/c25-15-8-16(26)10-17(9-15)30-12-21-23(29-30)22(20(27)11-28-21)14-5-6-18(24(31)32)19(7-14)13-3-1-2-4-13/h5-13H,1-4H2,(H,31,32).
What are the key properties of 4-[2-(3-chloro-5-fluorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]-2-cyclopentylbenzoic acid?
4-[2-(3-chloro-5-fluorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]-2-cyclopentylbenzoic acid has a molecular weight of 453.88 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-5-fluorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]-2-cyclopentylbenzoic acid is sourced from PubChem (CID 166128318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).