1-[5-fluoro-6-[4-[[1-(2-hydroxypropyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-5-methyl-2-pyridinyl]-2-methyl-3-pyridinyl]-3-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol

C42H40F2N12O2 — CID 123358180

About 1-[5-fluoro-6-[4-[[1-(2-hydroxypropyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-5-methyl-2-pyridinyl]-2-methyl-3-pyridinyl]-3-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol

1-[5-fluoro-6-[4-[[1-(2-hydroxypropyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-5-methyl-2-pyridinyl]-2-methyl-3-pyridinyl]-3-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol (PubChem CID 123358180) has the molecular formula C42H40F2N12O2 and a molecular weight of 782.86 g/mol. Its IUPAC name is 1-[5-fluoro-6-[4-[[1-(2-hydroxypropyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-5-methyl-2-pyridinyl]-2-methyl-3-pyridinyl]-3-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: 1-[5-fluoro-6-[4-[[1-(2-hydroxypropyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-5-methyl-2-pyridinyl]-2-methyl-3-pyridinyl]-3-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol
• PubChem CID: 123358180
• Molecular Formula: C42H40F2N12O2
• Molecular Weight: 782.86 g/mol
• Exact Mass: 782.34
• IUPAC Name: 1-[5-fluoro-6-[4-[[1-(2-hydroxypropyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-5-methyl-2-pyridinyl]-2-methyl-3-pyridinyl]-3-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol
• SMILES: Cc1ccc(F)c(-c2cc(Nc3ccnc4cnn(CC(O)Cc5cc(F)c(-c6cc(Nc7ccnc8cnn(CC(C)O)c78)c(C)cn6)nc5C)c34)c(C)cn2)n1
• InChI: InChI=1S/C42H40F2N12O2/c1-22-16-47-35(39-29(43)7-6-24(3)51-39)14-33(22)54-32-9-11-46-38-19-50-56(42(32)38)21-28(58)12-27-13-30(44)40(52-26(27)5)36-15-34(23(2)17-48-36)53-31-8-10-45-37-18-49-55(41(31)37)20-25(4)57/h6-11,13-19,25,28,57-58H,12,20-21H2,1-5H3,(H,45,48,53)(H,46,47,54)
• InChIKey: IAZIKYUNAAUIES-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 177.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	782.86
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of 1-[5-fluoro-6-[4-[[1-(2-hydroxypropyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-5-methyl-2-pyridinyl]-2-methyl-3-pyridinyl]-3-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol (CID 123358180) is 1-[5-fluoro-6-[4-[[1-(2-hydroxypropyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-5-methyl-2-pyridinyl]-2-methyl-3-pyridinyl]-3-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol.

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

The canonical SMILES for 1-[5-fluoro-6-[4-[[1-(2-hydroxypropyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-5-methyl-2-pyridinyl]-2-methyl-3-pyridinyl]-3-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol is Cc1ccc(F)c(-c2cc(Nc3ccnc4cnn(CC(O)Cc5cc(F)c(-c6cc(Nc7ccnc8cnn(CC(C)O)c78)c(C)cn6)nc5C)c34)c(C)cn2)n1.

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

The InChIKey is IAZIKYUNAAUIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40F2N12O2/c1-22-16-47-35(39-29(43)7-6-24(3)51-39)14-33(22)54-32-9-11-46-38-19-50-56(42(32)38)21-28(58)12-27-13-30(44)40(52-26(27)5)36-15-34(23(2)17-48-36)53-31-8-10-45-37-18-49-55(41(31)37)20-25(4)57/h6-11,13-19,25,28,57-58H,12,20-21H2,1-5H3,(H,45,48,53)(H,46,47,54).

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

1-[5-fluoro-6-[4-[[1-(2-hydroxypropyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-5-methyl-2-pyridinyl]-2-methyl-3-pyridinyl]-3-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol has a molecular weight of 782.86 g/mol, XLogP of 7.07, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-fluoro-6-[4-[[1-(2-hydroxypropyl)pyrazolo[4,3-b]pyridin-7-yl]amino]-5-methyl-2-pyridinyl]-2-methyl-3-pyridinyl]-3-[7-[[2-(3-fluoro-6-methyl-2-pyridinyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol is sourced from PubChem (CID 123358180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).