[3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine

C22H30N4 — CID 69452495

About [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine

[3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine (PubChem CID 69452495) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine.

Molecular Properties

• Compound Name: [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine
• PubChem CID: 69452495
• Molecular Formula: C22H30N4
• Molecular Weight: 350.51 g/mol
• Exact Mass: 350.25
• IUPAC Name: [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine
• SMILES: CCC(C)c1cn(C)c2nc(-c3ccc(C(C)C)nc3CN)c(C)cc12
• InChI: InChI=1S/C22H30N4/c1-7-14(4)18-12-26(6)22-17(18)10-15(5)21(25-22)16-8-9-19(13(2)3)24-20(16)11-23/h8-10,12-14H,7,11,23H2,1-6H3
• InChIKey: ONILGGQQKOUIRZ-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 56.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	350.51
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine?

The IUPAC name of [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine (CID 69452495) is [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine.

What is the SMILES notation for [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine?

The canonical SMILES for [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine is CCC(C)c1cn(C)c2nc(-c3ccc(C(C)C)nc3CN)c(C)cc12.

What is the InChIKey of [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine?

The InChIKey is ONILGGQQKOUIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-7-14(4)18-12-26(6)22-17(18)10-15(5)21(25-22)16-8-9-19(13(2)3)24-20(16)11-23/h8-10,12-14H,7,11,23H2,1-6H3.

What are the key properties of [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine?

[3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine has a molecular weight of 350.51 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine is sourced from PubChem (CID 69452495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).