N-[[6-(3,5-difluorophenyl)-2H-pyrazolo[4,3-b]pyridin-3-yl]methyl]-7-(4-fluoropiperidin-4-yl)-1,5-naphthyridin-4-amine

C26H22F3N7 — CID 68930993

About N-[[6-(3,5-difluorophenyl)-2H-pyrazolo[4,3-b]pyridin-3-yl]methyl]-7-(4-fluoropiperidin-4-yl)-1,5-naphthyridin-4-amine

N-[[6-(3,5-difluorophenyl)-2H-pyrazolo[4,3-b]pyridin-3-yl]methyl]-7-(4-fluoropiperidin-4-yl)-1,5-naphthyridin-4-amine (PubChem CID 68930993) has the molecular formula C26H22F3N7 and a molecular weight of 489.51 g/mol. Its IUPAC name is N-[[6-(3,5-difluorophenyl)-2H-pyrazolo[4,3-b]pyridin-3-yl]methyl]-7-(4-fluoropiperidin-4-yl)-1,5-naphthyridin-4-amine.

Molecular Properties

• Compound Name: N-[[6-(3,5-difluorophenyl)-2H-pyrazolo[4,3-b]pyridin-3-yl]methyl]-7-(4-fluoropiperidin-4-yl)-1,5-naphthyridin-4-amine
• PubChem CID: 68930993
• Molecular Formula: C26H22F3N7
• Molecular Weight: 489.51 g/mol
• Exact Mass: 489.19
• IUPAC Name: N-[[6-(3,5-difluorophenyl)-2H-pyrazolo[4,3-b]pyridin-3-yl]methyl]-7-(4-fluoropiperidin-4-yl)-1,5-naphthyridin-4-amine
• SMILES: Fc1cc(F)cc(-c2cnc3c(CNc4ccnc5cc(C6(F)CCNCC6)cnc45)[nH]nc3c2)c1
• InChI: InChI=1S/C26H22F3N7/c27-18-7-15(8-19(28)11-18)16-9-22-25(33-12-16)23(36-35-22)14-32-20-1-4-31-21-10-17(13-34-24(20)21)26(29)2-5-30-6-3-26/h1,4,7-13,30H,2-3,5-6,14H2,(H,31,32)(H,35,36)
• InChIKey: GOFZBLCSTQMCSC-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 91.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.51
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-difluorophenyl)-2H-pyrazolo[4,3-b]pyridin-3-yl]methyl]-7-(4-fluoropiperidin-4-yl)-1,5-naphthyridin-4-amine?

The IUPAC name of N-[[6-(3,5-difluorophenyl)-2H-pyrazolo[4,3-b]pyridin-3-yl]methyl]-7-(4-fluoropiperidin-4-yl)-1,5-naphthyridin-4-amine (CID 68930993) is N-[[6-(3,5-difluorophenyl)-2H-pyrazolo[4,3-b]pyridin-3-yl]methyl]-7-(4-fluoropiperidin-4-yl)-1,5-naphthyridin-4-amine.

What is the SMILES notation for N-[[6-(3,5-difluorophenyl)-2H-pyrazolo[4,3-b]pyridin-3-yl]methyl]-7-(4-fluoropiperidin-4-yl)-1,5-naphthyridin-4-amine?

The canonical SMILES for N-[[6-(3,5-difluorophenyl)-2H-pyrazolo[4,3-b]pyridin-3-yl]methyl]-7-(4-fluoropiperidin-4-yl)-1,5-naphthyridin-4-amine is Fc1cc(F)cc(-c2cnc3c(CNc4ccnc5cc(C6(F)CCNCC6)cnc45)[nH]nc3c2)c1.

What is the InChIKey of N-[[6-(3,5-difluorophenyl)-2H-pyrazolo[4,3-b]pyridin-3-yl]methyl]-7-(4-fluoropiperidin-4-yl)-1,5-naphthyridin-4-amine?

The InChIKey is GOFZBLCSTQMCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N7/c27-18-7-15(8-19(28)11-18)16-9-22-25(33-12-16)23(36-35-22)14-32-20-1-4-31-21-10-17(13-34-24(20)21)26(29)2-5-30-6-3-26/h1,4,7-13,30H,2-3,5-6,14H2,(H,31,32)(H,35,36).

What are the key properties of N-[[6-(3,5-difluorophenyl)-2H-pyrazolo[4,3-b]pyridin-3-yl]methyl]-7-(4-fluoropiperidin-4-yl)-1,5-naphthyridin-4-amine?

N-[[6-(3,5-difluorophenyl)-2H-pyrazolo[4,3-b]pyridin-3-yl]methyl]-7-(4-fluoropiperidin-4-yl)-1,5-naphthyridin-4-amine has a molecular weight of 489.51 g/mol, XLogP of 5.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(3,5-difluorophenyl)-2H-pyrazolo[4,3-b]pyridin-3-yl]methyl]-7-(4-fluoropiperidin-4-yl)-1,5-naphthyridin-4-amine is sourced from PubChem (CID 68930993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).