1-[(3R)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropan-1-amine;molecular hydrogen

C20H29FN6 — CID 160956328

About 1-[(3R)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropan-1-amine;molecular hydrogen

1-[(3R)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropan-1-amine;molecular hydrogen (PubChem CID 160956328) has the molecular formula C20H29FN6 and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[(3R)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropan-1-amine;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[(3R)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropan-1-amine;molecular hydrogen
• PubChem CID: 160956328
• Molecular Formula: C20H29FN6
• Molecular Weight: 372.49 g/mol
• Exact Mass: 372.24
• IUPAC Name: 1-[(3R)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropan-1-amine;molecular hydrogen
• SMILES: CC(C)C(N)[C@@H]1CCCN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)C1.[H][H].[H][H]
• InChI: InChI=1S/C20H25FN6.2H2/c1-12(2)17(22)13-5-4-10-27(11-13)16-8-7-15(21)19(24-16)18-14-6-3-9-23-20(14)26-25-18;;/h3,6-9,12-13,17H,4-5,10-11,22H2,1-2H3,(H,23,25,26);2*1H/t13-,17?;;/m1../s1
• InChIKey: SWKYCGJKLJLYHL-WOQXYYOFSA-N
• XLogP: 3.85
• TPSA: 83.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.49
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(3R)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropan-1-amine;molecular hydrogen (CID 160956328) is 1-[(3R)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropan-1-amine;molecular hydrogen.

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

The canonical SMILES for 1-[(3R)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropan-1-amine;molecular hydrogen is CC(C)C(N)[C@@H]1CCCN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)C1.[H][H].[H][H].

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

The InChIKey is SWKYCGJKLJLYHL-WOQXYYOFSA-N. The full InChI is InChI=1S/C20H25FN6.2H2/c1-12(2)17(22)13-5-4-10-27(11-13)16-8-7-15(21)19(24-16)18-14-6-3-9-23-20(14)26-25-18;;/h3,6-9,12-13,17H,4-5,10-11,22H2,1-2H3,(H,23,25,26);2*1H/t13-,17?;;/m1../s1.

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

1-[(3R)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropan-1-amine;molecular hydrogen has a molecular weight of 372.49 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropan-1-amine;molecular hydrogen is sourced from PubChem (CID 160956328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).