2-cyclopentyl-4-[2-(3,5-dichlorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]benzoic acid

C24H18Cl2FN3O2 — CID 166128357

IUPAC2-cyclopentyl-4-[2-(3,5-dichlorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2c(F)cnc3cn(-c4cc(Cl)cc(Cl)c4)nc23)cc1C1CCCC1
InChIInChI=1S/C24H18Cl2FN3O2/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)
InChIKeyDGKKBQLIBRAFBQ-UHFFFAOYSA-N
MW470.33 g/mol
LogP6.89
Rot. Bonds4

About 2-cyclopentyl-4-[2-(3,5-dichlorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]benzoic acid

2-cyclopentyl-4-[2-(3,5-dichlorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]benzoic acid (PubChem CID 166128357) has the molecular formula C24H18Cl2FN3O2 and a molecular weight of 470.33 g/mol. Its IUPAC name is 2-cyclopentyl-4-[2-(3,5-dichlorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]benzoic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-[2-(3,5-dichlorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]benzoic acid
PubChem CID166128357
Molecular FormulaC24H18Cl2FN3O2
Molecular Weight470.33 g/mol
Exact Mass469.08
IUPAC Name2-cyclopentyl-4-[2-(3,5-dichlorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2c(F)cnc3cn(-c4cc(Cl)cc(Cl)c4)nc23)cc1C1CCCC1
InChIInChI=1S/C24H18Cl2FN3O2/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)
InChIKeyDGKKBQLIBRAFBQ-UHFFFAOYSA-N
XLogP6.89
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.33
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[2-(3,5-dichlorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]benzoic acid?
The IUPAC name of 2-cyclopentyl-4-[2-(3,5-dichlorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]benzoic acid (CID 166128357) is 2-cyclopentyl-4-[2-(3,5-dichlorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]benzoic acid.
What is the SMILES notation for 2-cyclopentyl-4-[2-(3,5-dichlorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]benzoic acid?
The canonical SMILES for 2-cyclopentyl-4-[2-(3,5-dichlorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]benzoic acid is O=C(O)c1ccc(-c2c(F)cnc3cn(-c4cc(Cl)cc(Cl)c4)nc23)cc1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-[2-(3,5-dichlorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]benzoic acid?
The InChIKey is DGKKBQLIBRAFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2FN3O2/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 2-cyclopentyl-4-[2-(3,5-dichlorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]benzoic acid?
2-cyclopentyl-4-[2-(3,5-dichlorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]benzoic acid has a molecular weight of 470.33 g/mol, XLogP of 6.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[2-(3,5-dichlorophenyl)-6-fluoropyrazolo[4,3-b]pyridin-7-yl]benzoic acid is sourced from PubChem (CID 166128357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).