(2R)-2-[4-[3-ethenyl-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine

C22H30N6O2 — CID 172573168

About (2R)-2-[4-[3-ethenyl-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine

(2R)-2-[4-[3-ethenyl-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine (PubChem CID 172573168) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is (2R)-2-[4-[3-ethenyl-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine.

Molecular Properties

• Compound Name: (2R)-2-[4-[3-ethenyl-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine
• PubChem CID: 172573168
• Molecular Formula: C22H30N6O2
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.24
• IUPAC Name: (2R)-2-[4-[3-ethenyl-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine
• SMILES: C=Cc1nn(C2CCCCO2)c2cnc(-c3c(C)nn(C)c3O[C@H](C)CNC)cc12
• InChI: InChI=1S/C22H30N6O2/c1-6-17-16-11-18(21-15(3)25-27(5)22(21)30-14(2)12-23-4)24-13-19(16)28(26-17)20-9-7-8-10-29-20/h6,11,13-14,20,23H,1,7-10,12H2,2-5H3/t14-,20?/m1/s1
• InChIKey: LXOTZXIZOFOHII-QMRFKDRMSA-N
• XLogP: 3.47
• TPSA: 79.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[3-ethenyl-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine?

The IUPAC name of (2R)-2-[4-[3-ethenyl-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine (CID 172573168) is (2R)-2-[4-[3-ethenyl-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine.

What is the SMILES notation for (2R)-2-[4-[3-ethenyl-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine?

The canonical SMILES for (2R)-2-[4-[3-ethenyl-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine is C=Cc1nn(C2CCCCO2)c2cnc(-c3c(C)nn(C)c3O[C@H](C)CNC)cc12.

What is the InChIKey of (2R)-2-[4-[3-ethenyl-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine?

The InChIKey is LXOTZXIZOFOHII-QMRFKDRMSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-6-17-16-11-18(21-15(3)25-27(5)22(21)30-14(2)12-23-4)24-13-19(16)28(26-17)20-9-7-8-10-29-20/h6,11,13-14,20,23H,1,7-10,12H2,2-5H3/t14-,20?/m1/s1.

What are the key properties of (2R)-2-[4-[3-ethenyl-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine?

(2R)-2-[4-[3-ethenyl-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine has a molecular weight of 410.52 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[4-[3-ethenyl-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-1,3-dimethylpyrazol-5-yl]oxy-N-methylpropan-1-amine is sourced from PubChem (CID 172573168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).