N-[2-[3-fluoro-4-[4-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]oxolan-2-yl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-1-(oxolan-3-yl)pyrazolo[4,3-b]pyridin-7-amine

C44H40F2N12O2 — CID 123637870

About N-[2-[3-fluoro-4-[4-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]oxolan-2-yl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-1-(oxolan-3-yl)pyrazolo[4,3-b]pyridin-7-amine

N-[2-[3-fluoro-4-[4-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]oxolan-2-yl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-1-(oxolan-3-yl)pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 123637870) has the molecular formula C44H40F2N12O2 and a molecular weight of 806.88 g/mol. Its IUPAC name is N-[2-[3-fluoro-4-[4-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]oxolan-2-yl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-1-(oxolan-3-yl)pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

• Compound Name: N-[2-[3-fluoro-4-[4-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]oxolan-2-yl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-1-(oxolan-3-yl)pyrazolo[4,3-b]pyridin-7-amine
• PubChem CID: 123637870
• Molecular Formula: C44H40F2N12O2
• Molecular Weight: 806.88 g/mol
• Exact Mass: 806.34
• IUPAC Name: N-[2-[3-fluoro-4-[4-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]oxolan-2-yl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-1-(oxolan-3-yl)pyrazolo[4,3-b]pyridin-7-amine
• SMILES: Cc1ccc(F)c(-c2cc(Nc3ccnc4cnn(C5COC(c6cc(C)nc(-c7cc(Nc8ccnc9cnn(C%10CCOC%10)c89)c(C)cn7)c6F)C5)c34)c(C)cn2)n1
• InChI: InChI=1S/C44H40F2N12O2/c1-23-17-49-35(41-30(45)6-5-25(3)53-41)15-33(23)56-32-8-11-48-38-20-52-58(44(32)38)28-14-39(60-22-28)29-13-26(4)54-42(40(29)46)36-16-34(24(2)18-50-36)55-31-7-10-47-37-19-51-57(43(31)37)27-9-12-59-21-27/h5-8,10-11,13,15-20,27-28,39H,9,12,14,21-22H2,1-4H3,(H,47,50,55)(H,48,49,56)
• InChIKey: ZPHRQFUZBRRIQA-UHFFFAOYSA-N
• XLogP: 8.75
• TPSA: 155.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	806.88
LogP ≤ 5	8.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-fluoro-4-[4-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]oxolan-2-yl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-1-(oxolan-3-yl)pyrazolo[4,3-b]pyridin-7-amine?

The IUPAC name of N-[2-[3-fluoro-4-[4-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]oxolan-2-yl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-1-(oxolan-3-yl)pyrazolo[4,3-b]pyridin-7-amine (CID 123637870) is N-[2-[3-fluoro-4-[4-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]oxolan-2-yl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-1-(oxolan-3-yl)pyrazolo[4,3-b]pyridin-7-amine.

What is the SMILES notation for N-[2-[3-fluoro-4-[4-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]oxolan-2-yl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-1-(oxolan-3-yl)pyrazolo[4,3-b]pyridin-7-amine?

The canonical SMILES for N-[2-[3-fluoro-4-[4-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]oxolan-2-yl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-1-(oxolan-3-yl)pyrazolo[4,3-b]pyridin-7-amine is Cc1ccc(F)c(-c2cc(Nc3ccnc4cnn(C5COC(c6cc(C)nc(-c7cc(Nc8ccnc9cnn(C%10CCOC%10)c89)c(C)cn7)c6F)C5)c34)c(C)cn2)n1.

What is the InChIKey of N-[2-[3-fluoro-4-[4-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]oxolan-2-yl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-1-(oxolan-3-yl)pyrazolo[4,3-b]pyridin-7-amine?

The InChIKey is ZPHRQFUZBRRIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40F2N12O2/c1-23-17-49-35(41-30(45)6-5-25(3)53-41)15-33(23)56-32-8-11-48-38-20-52-58(44(32)38)28-14-39(60-22-28)29-13-26(4)54-42(40(29)46)36-16-34(24(2)18-50-36)55-31-7-10-47-37-19-51-57(43(31)37)27-9-12-59-21-27/h5-8,10-11,13,15-20,27-28,39H,9,12,14,21-22H2,1-4H3,(H,47,50,55)(H,48,49,56).

What are the key properties of N-[2-[3-fluoro-4-[4-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]oxolan-2-yl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-1-(oxolan-3-yl)pyrazolo[4,3-b]pyridin-7-amine?

N-[2-[3-fluoro-4-[4-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]oxolan-2-yl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-1-(oxolan-3-yl)pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 806.88 g/mol, XLogP of 8.75, 9 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-fluoro-4-[4-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]oxolan-2-yl]-6-methyl-2-pyridinyl]-5-methyl-4-pyridinyl]-1-(oxolan-3-yl)pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 123637870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).