4-[[5-[(2,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]-N-piperidin-4-ylbenzamide

C25H24F2N6O — CID 171344045

IUPAC4-[[5-[(2,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]-N-piperidin-4-ylbenzamide
SMILESO=C(NC1CCNCC1)c1ccc(Nc2[nH]nc3ncc(Cc4cc(F)ccc4F)cc23)cc1
InChIInChI=1S/C25H24F2N6O/c26-18-3-6-22(27)17(13-18)11-15-12-21-23(29-14-15)32-33-24(21)30-19-4-1-16(2-5-19)25(34)31-20-7-9-28-10-8-20/h1-6,12-14,20,28H,7-11H2,(H,31,34)(H2,29,30,32,33)
InChIKeyFEHNGLTZZUWFCH-UHFFFAOYSA-N
MW462.50 g/mol
LogP4.05
Rot. Bonds6

About 4-[[5-[(2,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]-N-piperidin-4-ylbenzamide

4-[[5-[(2,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]-N-piperidin-4-ylbenzamide (PubChem CID 171344045) has the molecular formula C25H24F2N6O and a molecular weight of 462.50 g/mol. Its IUPAC name is 4-[[5-[(2,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-[[5-[(2,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]-N-piperidin-4-ylbenzamide
PubChem CID171344045
Molecular FormulaC25H24F2N6O
Molecular Weight462.50 g/mol
Exact Mass462.20
IUPAC Name4-[[5-[(2,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]-N-piperidin-4-ylbenzamide
SMILESO=C(NC1CCNCC1)c1ccc(Nc2[nH]nc3ncc(Cc4cc(F)ccc4F)cc23)cc1
InChIInChI=1S/C25H24F2N6O/c26-18-3-6-22(27)17(13-18)11-15-12-21-23(29-14-15)32-33-24(21)30-19-4-1-16(2-5-19)25(34)31-20-7-9-28-10-8-20/h1-6,12-14,20,28H,7-11H2,(H,31,34)(H2,29,30,32,33)
InChIKeyFEHNGLTZZUWFCH-UHFFFAOYSA-N
XLogP4.05
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(2,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-[[5-[(2,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]-N-piperidin-4-ylbenzamide (CID 171344045) is 4-[[5-[(2,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-[[5-[(2,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-[[5-[(2,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]-N-piperidin-4-ylbenzamide is O=C(NC1CCNCC1)c1ccc(Nc2[nH]nc3ncc(Cc4cc(F)ccc4F)cc23)cc1.
What is the InChIKey of 4-[[5-[(2,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]-N-piperidin-4-ylbenzamide?
The InChIKey is FEHNGLTZZUWFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O/c26-18-3-6-22(27)17(13-18)11-15-12-21-23(29-14-15)32-33-24(21)30-19-4-1-16(2-5-19)25(34)31-20-7-9-28-10-8-20/h1-6,12-14,20,28H,7-11H2,(H,31,34)(H2,29,30,32,33).
What are the key properties of 4-[[5-[(2,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]-N-piperidin-4-ylbenzamide?
4-[[5-[(2,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]-N-piperidin-4-ylbenzamide has a molecular weight of 462.50 g/mol, XLogP of 4.05, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(2,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]amino]-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 171344045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).