(2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]pentan-1-ol

C23H33N5O — CID 69405635

About (2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]pentan-1-ol

(2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]pentan-1-ol (PubChem CID 69405635) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is (2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]pentan-1-ol.

Molecular Properties

• Compound Name: (2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]pentan-1-ol
• PubChem CID: 69405635
• Molecular Formula: C23H33N5O
• Molecular Weight: 395.55 g/mol
• Exact Mass: 395.27
• IUPAC Name: (2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]pentan-1-ol
• SMILES: CCC[C@H](CO)c1cn(C)c2nc(-c3ccc(C(C)C)nc3NC)c(CC)nc12
• InChI: InChI=1S/C23H33N5O/c1-7-9-15(13-29)17-12-28(6)23-21(17)25-18(8-2)20(27-23)16-10-11-19(14(3)4)26-22(16)24-5/h10-12,14-15,29H,7-9,13H2,1-6H3,(H,24,26)/t15-/m1/s1
• InChIKey: BSDJXQVCNCMXRB-OAHLLOKOSA-N
• XLogP: 4.63
• TPSA: 75.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.55
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]pentan-1-ol?

The IUPAC name of (2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]pentan-1-ol (CID 69405635) is (2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]pentan-1-ol.

What is the SMILES notation for (2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]pentan-1-ol?

The canonical SMILES for (2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]pentan-1-ol is CCC[C@H](CO)c1cn(C)c2nc(-c3ccc(C(C)C)nc3NC)c(CC)nc12.

What is the InChIKey of (2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]pentan-1-ol?

The InChIKey is BSDJXQVCNCMXRB-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H33N5O/c1-7-9-15(13-29)17-12-28(6)23-21(17)25-18(8-2)20(27-23)16-10-11-19(14(3)4)26-22(16)24-5/h10-12,14-15,29H,7-9,13H2,1-6H3,(H,24,26)/t15-/m1/s1.

What are the key properties of (2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]pentan-1-ol?

(2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]pentan-1-ol has a molecular weight of 395.55 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]pentan-1-ol is sourced from PubChem (CID 69405635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).