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

C22H31N5O — CID 24788523

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

(2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol (PubChem CID 24788523) has the molecular formula C22H31N5O and a molecular weight of 381.52 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]butan-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]butan-1-ol
• PubChem CID: 24788523
• Molecular Formula: C22H31N5O
• Molecular Weight: 381.52 g/mol
• Exact Mass: 381.25
• IUPAC Name: (2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol
• SMILES: CCc1nc2c([C@H](CC)CO)cn(C)c2nc1-c1ccc(C(C)C)nc1NC
• InChI: InChI=1S/C22H31N5O/c1-7-14(12-28)16-11-27(6)22-20(16)24-17(8-2)19(26-22)15-9-10-18(13(3)4)25-21(15)23-5/h9-11,13-14,28H,7-8,12H2,1-6H3,(H,23,25)/t14-/m1/s1
• InChIKey: PKIPFVAIGQLQDP-CQSZACIVSA-N
• XLogP: 4.24
• TPSA: 75.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.52
LogP ≤ 5	4.24
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]butan-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]butan-1-ol (CID 24788523) is (2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]butan-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]butan-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]butan-1-ol is CCc1nc2c([C@H](CC)CO)cn(C)c2nc1-c1ccc(C(C)C)nc1NC.

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]butan-1-ol?

The InChIKey is PKIPFVAIGQLQDP-CQSZACIVSA-N. The full InChI is InChI=1S/C22H31N5O/c1-7-14(12-28)16-11-27(6)22-20(16)24-17(8-2)19(26-22)15-9-10-18(13(3)4)25-21(15)23-5/h9-11,13-14,28H,7-8,12H2,1-6H3,(H,23,25)/t14-/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]butan-1-ol?

(2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol has a molecular weight of 381.52 g/mol, XLogP of 4.24, 7 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]butan-1-ol is sourced from PubChem (CID 24788523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).