methyl 2-cyclopentyl-4-[2-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-7-yl]benzoate

C25H22FN3O2 — CID 166128337

IUPACmethyl 2-cyclopentyl-4-[2-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-7-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ccnc3cn(-c4ccc(F)cc4)nc23)cc1C1CCCC1
InChIInChI=1S/C25H22FN3O2/c1-31-25(30)21-11-6-17(14-22(21)16-4-2-3-5-16)20-12-13-27-23-15-29(28-24(20)23)19-9-7-18(26)8-10-19/h6-16H,2-5H2,1H3
InChIKeyWTQABKLJEYSHGQ-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.67
Rot. Bonds4

About methyl 2-cyclopentyl-4-[2-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-7-yl]benzoate

methyl 2-cyclopentyl-4-[2-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-7-yl]benzoate (PubChem CID 166128337) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is methyl 2-cyclopentyl-4-[2-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-7-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-cyclopentyl-4-[2-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-7-yl]benzoate
PubChem CID166128337
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC Namemethyl 2-cyclopentyl-4-[2-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-7-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ccnc3cn(-c4ccc(F)cc4)nc23)cc1C1CCCC1
InChIInChI=1S/C25H22FN3O2/c1-31-25(30)21-11-6-17(14-22(21)16-4-2-3-5-16)20-12-13-27-23-15-29(28-24(20)23)19-9-7-18(26)8-10-19/h6-16H,2-5H2,1H3
InChIKeyWTQABKLJEYSHGQ-UHFFFAOYSA-N
XLogP5.67
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopentyl-4-[2-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-7-yl]benzoate?
The IUPAC name of methyl 2-cyclopentyl-4-[2-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-7-yl]benzoate (CID 166128337) is methyl 2-cyclopentyl-4-[2-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-7-yl]benzoate.
What is the SMILES notation for methyl 2-cyclopentyl-4-[2-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-7-yl]benzoate?
The canonical SMILES for methyl 2-cyclopentyl-4-[2-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-7-yl]benzoate is COC(=O)c1ccc(-c2ccnc3cn(-c4ccc(F)cc4)nc23)cc1C1CCCC1.
What is the InChIKey of methyl 2-cyclopentyl-4-[2-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-7-yl]benzoate?
The InChIKey is WTQABKLJEYSHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2/c1-31-25(30)21-11-6-17(14-22(21)16-4-2-3-5-16)20-12-13-27-23-15-29(28-24(20)23)19-9-7-18(26)8-10-19/h6-16H,2-5H2,1H3.
What are the key properties of methyl 2-cyclopentyl-4-[2-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-7-yl]benzoate?
methyl 2-cyclopentyl-4-[2-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-7-yl]benzoate has a molecular weight of 415.47 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopentyl-4-[2-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-7-yl]benzoate is sourced from PubChem (CID 166128337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).