1-[6-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

C25H19FN10 — CID 136945532

About 1-[6-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

1-[6-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine (PubChem CID 136945532) has the molecular formula C25H19FN10 and a molecular weight of 478.50 g/mol. Its IUPAC name is 1-[6-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine.

Molecular Properties

• Compound Name: 1-[6-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
• PubChem CID: 136945532
• Molecular Formula: C25H19FN10
• Molecular Weight: 478.50 g/mol
• Exact Mass: 478.18
• IUPAC Name: 1-[6-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
• SMILES: NC1CN(c2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccccc7F)nccc6[nH]5)c4c3)n2)C1
• InChI: InChI=1S/C25H19FN10/c26-17-4-2-1-3-15(17)21-23-18(5-6-29-21)32-25(33-23)22-16-7-13(8-30-24(16)35-34-22)19-9-28-10-20(31-19)36-11-14(27)12-36/h1-10,14H,11-12,27H2,(H,32,33)(H,30,34,35)
• InChIKey: QEYRSICUWDOTLQ-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 138.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.50
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine?

The IUPAC name of 1-[6-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine (CID 136945532) is 1-[6-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine.

What is the SMILES notation for 1-[6-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine?

The canonical SMILES for 1-[6-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine is NC1CN(c2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccccc7F)nccc6[nH]5)c4c3)n2)C1.

What is the InChIKey of 1-[6-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine?

The InChIKey is QEYRSICUWDOTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN10/c26-17-4-2-1-3-15(17)21-23-18(5-6-29-21)32-25(33-23)22-16-7-13(8-30-24(16)35-34-22)19-9-28-10-20(31-19)36-11-14(27)12-36/h1-10,14H,11-12,27H2,(H,32,33)(H,30,34,35).

What are the key properties of 1-[6-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine?

1-[6-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine has a molecular weight of 478.50 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine is sourced from PubChem (CID 136945532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).