2-[4-[5-[[(3S)-piperidin-3-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]pyrazol-1-yl]ethanol

C18H23N7O — CID 71113909

About 2-[4-[5-[[(3S)-piperidin-3-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]pyrazol-1-yl]ethanol

2-[4-[5-[[(3S)-piperidin-3-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]pyrazol-1-yl]ethanol (PubChem CID 71113909) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[4-[5-[[(3S)-piperidin-3-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[5-[[(3S)-piperidin-3-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]pyrazol-1-yl]ethanol
• PubChem CID: 71113909
• Molecular Formula: C18H23N7O
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.20
• IUPAC Name: 2-[4-[5-[[(3S)-piperidin-3-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]pyrazol-1-yl]ethanol
• SMILES: OCCn1cc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)cn1
• InChI: InChI=1S/C18H23N7O/c26-7-6-25-12-14(11-23-25)15-8-16-17(21-5-4-20-16)18(24-15)22-10-13-2-1-3-19-9-13/h4-5,8,11-13,19,26H,1-3,6-7,9-10H2,(H,22,24)/t13-/m0/s1
• InChIKey: MUSNKWIGACGJEB-ZDUSSCGKSA-N
• XLogP: 1.29
• TPSA: 100.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[[(3S)-piperidin-3-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]pyrazol-1-yl]ethanol?

The IUPAC name of 2-[4-[5-[[(3S)-piperidin-3-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]pyrazol-1-yl]ethanol (CID 71113909) is 2-[4-[5-[[(3S)-piperidin-3-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]pyrazol-1-yl]ethanol.

What is the SMILES notation for 2-[4-[5-[[(3S)-piperidin-3-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]pyrazol-1-yl]ethanol?

The canonical SMILES for 2-[4-[5-[[(3S)-piperidin-3-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]pyrazol-1-yl]ethanol is OCCn1cc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)cn1.

What is the InChIKey of 2-[4-[5-[[(3S)-piperidin-3-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]pyrazol-1-yl]ethanol?

The InChIKey is MUSNKWIGACGJEB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N7O/c26-7-6-25-12-14(11-23-25)15-8-16-17(21-5-4-20-16)18(24-15)22-10-13-2-1-3-19-9-13/h4-5,8,11-13,19,26H,1-3,6-7,9-10H2,(H,22,24)/t13-/m0/s1.

What are the key properties of 2-[4-[5-[[(3S)-piperidin-3-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]pyrazol-1-yl]ethanol?

2-[4-[5-[[(3S)-piperidin-3-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]pyrazol-1-yl]ethanol has a molecular weight of 353.43 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-[[(3S)-piperidin-3-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 71113909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).