1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2,2-dimethylcyclopropan-1-ol;molecular hydrogen

C20H27FN6O — CID 160738314

About 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2,2-dimethylcyclopropan-1-ol;molecular hydrogen

1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2,2-dimethylcyclopropan-1-ol;molecular hydrogen (PubChem CID 160738314) has the molecular formula C20H27FN6O and a molecular weight of 386.48 g/mol. Its IUPAC name is 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2,2-dimethylcyclopropan-1-ol;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2,2-dimethylcyclopropan-1-ol;molecular hydrogen
• PubChem CID: 160738314
• Molecular Formula: C20H27FN6O
• Molecular Weight: 386.48 g/mol
• Exact Mass: 386.22
• IUPAC Name: 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2,2-dimethylcyclopropan-1-ol;molecular hydrogen
• SMILES: CC1(C)CC1(O)C1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCN1.[H][H].[H][H]
• InChI: InChI=1S/C20H23FN6O.2H2/c1-19(2)11-20(19,28)14-10-27(9-8-22-14)15-6-5-13(21)17(24-15)16-12-4-3-7-23-18(12)26-25-16;;/h3-7,14,22,28H,8-11H2,1-2H3,(H,23,25,26);2*1H
• InChIKey: RVFXCCDBNTZIMX-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 89.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.48
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2,2-dimethylcyclopropan-1-ol;molecular hydrogen?

The IUPAC name of 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2,2-dimethylcyclopropan-1-ol;molecular hydrogen (CID 160738314) is 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2,2-dimethylcyclopropan-1-ol;molecular hydrogen.

What is the SMILES notation for 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2,2-dimethylcyclopropan-1-ol;molecular hydrogen?

The canonical SMILES for 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2,2-dimethylcyclopropan-1-ol;molecular hydrogen is CC1(C)CC1(O)C1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCN1.[H][H].[H][H].

What is the InChIKey of 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2,2-dimethylcyclopropan-1-ol;molecular hydrogen?

The InChIKey is RVFXCCDBNTZIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O.2H2/c1-19(2)11-20(19,28)14-10-27(9-8-22-14)15-6-5-13(21)17(24-15)16-12-4-3-7-23-18(12)26-25-16;;/h3-7,14,22,28H,8-11H2,1-2H3,(H,23,25,26);2*1H.

What are the key properties of 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2,2-dimethylcyclopropan-1-ol;molecular hydrogen?

1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2,2-dimethylcyclopropan-1-ol;molecular hydrogen has a molecular weight of 386.48 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2,2-dimethylcyclopropan-1-ol;molecular hydrogen is sourced from PubChem (CID 160738314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).