4-[4-[4-[5-amino-3-ethyl-2-(oxan-4-ylamino)pyrido[3,4-b]pyrazin-8-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexan-1-ol

C28H40N8O2 — CID 169303628

About 4-[4-[4-[5-amino-3-ethyl-2-(oxan-4-ylamino)pyrido[3,4-b]pyrazin-8-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexan-1-ol

4-[4-[4-[5-amino-3-ethyl-2-(oxan-4-ylamino)pyrido[3,4-b]pyrazin-8-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 169303628) has the molecular formula C28H40N8O2 and a molecular weight of 520.68 g/mol. Its IUPAC name is 4-[4-[4-[5-amino-3-ethyl-2-(oxan-4-ylamino)pyrido[3,4-b]pyrazin-8-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-[4-[4-[5-amino-3-ethyl-2-(oxan-4-ylamino)pyrido[3,4-b]pyrazin-8-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexan-1-ol
• PubChem CID: 169303628
• Molecular Formula: C28H40N8O2
• Molecular Weight: 520.68 g/mol
• Exact Mass: 520.33
• IUPAC Name: 4-[4-[4-[5-amino-3-ethyl-2-(oxan-4-ylamino)pyrido[3,4-b]pyrazin-8-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexan-1-ol
• SMILES: CCc1nc2c(N)ncc(-c3cnn(C4CCN(C5CCC(O)CC5)CC4)c3)c2nc1NC1CCOCC1
• InChI: InChI=1S/C28H40N8O2/c1-2-24-28(32-19-9-13-38-14-10-19)34-25-23(16-30-27(29)26(25)33-24)18-15-31-36(17-18)21-7-11-35(12-8-21)20-3-5-22(37)6-4-20/h15-17,19-22,37H,2-14H2,1H3,(H2,29,30)(H,32,34)
• InChIKey: USQOYCGUOLKMIY-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 127.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.68
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[5-amino-3-ethyl-2-(oxan-4-ylamino)pyrido[3,4-b]pyrazin-8-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexan-1-ol?

The IUPAC name of 4-[4-[4-[5-amino-3-ethyl-2-(oxan-4-ylamino)pyrido[3,4-b]pyrazin-8-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexan-1-ol (CID 169303628) is 4-[4-[4-[5-amino-3-ethyl-2-(oxan-4-ylamino)pyrido[3,4-b]pyrazin-8-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexan-1-ol.

What is the SMILES notation for 4-[4-[4-[5-amino-3-ethyl-2-(oxan-4-ylamino)pyrido[3,4-b]pyrazin-8-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexan-1-ol?

The canonical SMILES for 4-[4-[4-[5-amino-3-ethyl-2-(oxan-4-ylamino)pyrido[3,4-b]pyrazin-8-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexan-1-ol is CCc1nc2c(N)ncc(-c3cnn(C4CCN(C5CCC(O)CC5)CC4)c3)c2nc1NC1CCOCC1.

What is the InChIKey of 4-[4-[4-[5-amino-3-ethyl-2-(oxan-4-ylamino)pyrido[3,4-b]pyrazin-8-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexan-1-ol?

The InChIKey is USQOYCGUOLKMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N8O2/c1-2-24-28(32-19-9-13-38-14-10-19)34-25-23(16-30-27(29)26(25)33-24)18-15-31-36(17-18)21-7-11-35(12-8-21)20-3-5-22(37)6-4-20/h15-17,19-22,37H,2-14H2,1H3,(H2,29,30)(H,32,34).

What are the key properties of 4-[4-[4-[5-amino-3-ethyl-2-(oxan-4-ylamino)pyrido[3,4-b]pyrazin-8-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexan-1-ol?

4-[4-[4-[5-amino-3-ethyl-2-(oxan-4-ylamino)pyrido[3,4-b]pyrazin-8-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 520.68 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[5-amino-3-ethyl-2-(oxan-4-ylamino)pyrido[3,4-b]pyrazin-8-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 169303628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).