4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-phenylbenzamide

C25H17FN4O — CID 134327617

IUPAC4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2n[nH]c3ccc(-c4ccccc4F)nc23)cc1
InChIInChI=1S/C25H17FN4O/c26-20-9-5-4-8-19(20)21-14-15-22-24(28-21)23(30-29-22)16-10-12-17(13-11-16)25(31)27-18-6-2-1-3-7-18/h1-15H,(H,27,31)(H,29,30)
InChIKeyDPALZUCRCZDMKK-UHFFFAOYSA-N
MW408.44 g/mol
LogP5.68
Rot. Bonds4

About 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-phenylbenzamide

4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-phenylbenzamide (PubChem CID 134327617) has the molecular formula C25H17FN4O and a molecular weight of 408.44 g/mol. Its IUPAC name is 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-phenylbenzamide
PubChem CID134327617
Molecular FormulaC25H17FN4O
Molecular Weight408.44 g/mol
Exact Mass408.14
IUPAC Name4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2n[nH]c3ccc(-c4ccccc4F)nc23)cc1
InChIInChI=1S/C25H17FN4O/c26-20-9-5-4-8-19(20)21-14-15-22-24(28-21)23(30-29-22)16-10-12-17(13-11-16)25(31)27-18-6-2-1-3-7-18/h1-15H,(H,27,31)(H,29,30)
InChIKeyDPALZUCRCZDMKK-UHFFFAOYSA-N
XLogP5.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.44
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-phenylbenzamide?
The IUPAC name of 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-phenylbenzamide (CID 134327617) is 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-phenylbenzamide.
What is the SMILES notation for 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-phenylbenzamide?
The canonical SMILES for 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(-c2n[nH]c3ccc(-c4ccccc4F)nc23)cc1.
What is the InChIKey of 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-phenylbenzamide?
The InChIKey is DPALZUCRCZDMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN4O/c26-20-9-5-4-8-19(20)21-14-15-22-24(28-21)23(30-29-22)16-10-12-17(13-11-16)25(31)27-18-6-2-1-3-7-18/h1-15H,(H,27,31)(H,29,30).
What are the key properties of 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-phenylbenzamide?
4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-phenylbenzamide has a molecular weight of 408.44 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-phenylbenzamide is sourced from PubChem (CID 134327617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).