(5S)-5-amino-1-[3-methyl-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-ol

C22H24N8O — CID 135293496

About (5S)-5-amino-1-[3-methyl-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-ol

(5S)-5-amino-1-[3-methyl-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-ol (PubChem CID 135293496) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is (5S)-5-amino-1-[3-methyl-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-ol.

Molecular Properties

• Compound Name: (5S)-5-amino-1-[3-methyl-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-ol
• PubChem CID: 135293496
• Molecular Formula: C22H24N8O
• Molecular Weight: 416.49 g/mol
• Exact Mass: 416.21
• IUPAC Name: (5S)-5-amino-1-[3-methyl-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-ol
• SMILES: Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(C)c(N3C[C@@H](N)CCC3O)n2)n1
• InChI: InChI=1S/C22H24N8O/c1-13-3-5-20(28-22(13)29-12-16(23)4-6-21(29)31)30-19-7-17(25-9-15(19)10-26-30)18-11-24-8-14(2)27-18/h3,5,7-11,16,21,31H,4,6,12,23H2,1-2H3/t16-,21?/m0/s1
• InChIKey: LEUPGRDJNCXDHH-BJQOMGFOSA-N
• XLogP: 2.14
• TPSA: 118.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.49
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-1-[3-methyl-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-ol?

The IUPAC name of (5S)-5-amino-1-[3-methyl-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-ol (CID 135293496) is (5S)-5-amino-1-[3-methyl-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-ol.

What is the SMILES notation for (5S)-5-amino-1-[3-methyl-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-ol?

The canonical SMILES for (5S)-5-amino-1-[3-methyl-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-ol is Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(C)c(N3C[C@@H](N)CCC3O)n2)n1.

What is the InChIKey of (5S)-5-amino-1-[3-methyl-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-ol?

The InChIKey is LEUPGRDJNCXDHH-BJQOMGFOSA-N. The full InChI is InChI=1S/C22H24N8O/c1-13-3-5-20(28-22(13)29-12-16(23)4-6-21(29)31)30-19-7-17(25-9-15(19)10-26-30)18-11-24-8-14(2)27-18/h3,5,7-11,16,21,31H,4,6,12,23H2,1-2H3/t16-,21?/m0/s1.

What are the key properties of (5S)-5-amino-1-[3-methyl-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-ol?

(5S)-5-amino-1-[3-methyl-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-ol has a molecular weight of 416.49 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-amino-1-[3-methyl-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-2-ol is sourced from PubChem (CID 135293496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).