3-[4-[5-[[(2R)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]propan-1-ol

C21H25N5O2 — CID 141437407

About 3-[4-[5-[[(2R)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]propan-1-ol

3-[4-[5-[[(2R)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]propan-1-ol (PubChem CID 141437407) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[4-[5-[[(2R)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]propan-1-ol.

Molecular Properties

• Compound Name: 3-[4-[5-[[(2R)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]propan-1-ol
• PubChem CID: 141437407
• Molecular Formula: C21H25N5O2
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.20
• IUPAC Name: 3-[4-[5-[[(2R)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]propan-1-ol
• SMILES: OCCCc1ccc(-c2cc3nccnc3c(NC[C@H]3CNCCO3)n2)cc1
• InChI: InChI=1S/C21H25N5O2/c27-10-1-2-15-3-5-16(6-4-15)18-12-19-20(24-8-7-23-19)21(26-18)25-14-17-13-22-9-11-28-17/h3-8,12,17,22,27H,1-2,9-11,13-14H2,(H,25,26)/t17-/m1/s1
• InChIKey: AQJZYQGMKWNXAT-QGZVFWFLSA-N
• XLogP: 2.02
• TPSA: 92.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[[(2R)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]propan-1-ol?

The IUPAC name of 3-[4-[5-[[(2R)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]propan-1-ol (CID 141437407) is 3-[4-[5-[[(2R)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]propan-1-ol.

What is the SMILES notation for 3-[4-[5-[[(2R)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]propan-1-ol?

The canonical SMILES for 3-[4-[5-[[(2R)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]propan-1-ol is OCCCc1ccc(-c2cc3nccnc3c(NC[C@H]3CNCCO3)n2)cc1.

What is the InChIKey of 3-[4-[5-[[(2R)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]propan-1-ol?

The InChIKey is AQJZYQGMKWNXAT-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-10-1-2-15-3-5-16(6-4-15)18-12-19-20(24-8-7-23-19)21(26-18)25-14-17-13-22-9-11-28-17/h3-8,12,17,22,27H,1-2,9-11,13-14H2,(H,25,26)/t17-/m1/s1.

What are the key properties of 3-[4-[5-[[(2R)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]propan-1-ol?

3-[4-[5-[[(2R)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]propan-1-ol has a molecular weight of 379.46 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[5-[[(2R)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]propan-1-ol is sourced from PubChem (CID 141437407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).