trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol

C15H22N4O — CID 124550232

About trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol

trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol (PubChem CID 124550232) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol
• PubChem CID: 124550232
• Molecular Formula: C15H22N4O
• Molecular Weight: 274.37 g/mol
• Exact Mass: 274.18
• IUPAC Name: trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol
• SMILES: Cc1nn(C)c2ncc(CN[C@H]3CCCC[C@@H]3O)cc12
• InChI: InChI=1S/C15H22N4O/c1-10-12-7-11(9-17-15(12)19(2)18-10)8-16-13-5-3-4-6-14(13)20/h7,9,13-14,16,20H,3-6,8H2,1-2H3/t13-,14-/m0/s1
• InChIKey: IWDSUVXBPOJQLW-KBPBESRZSA-N
• XLogP: 1.67
• TPSA: 62.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.37
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol?

The IUPAC name of trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol (CID 124550232) is trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol.

What is the SMILES notation for trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol?

The canonical SMILES for trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol is Cc1nn(C)c2ncc(CN[C@H]3CCCC[C@@H]3O)cc12.

What is the InChIKey of trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol?

The InChIKey is IWDSUVXBPOJQLW-KBPBESRZSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10-12-7-11(9-17-15(12)19(2)18-10)8-16-13-5-3-4-6-14(13)20/h7,9,13-14,16,20H,3-6,8H2,1-2H3/t13-,14-/m0/s1.

What are the key properties of trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol?

trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol has a molecular weight of 274.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 124550232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).