3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N,6-di(propan-2-yl)pyridin-2-amine

C25H36N4O — CID 24788716

About 3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N,6-di(propan-2-yl)pyridin-2-amine

3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N,6-di(propan-2-yl)pyridin-2-amine (PubChem CID 24788716) has the molecular formula C25H36N4O and a molecular weight of 408.59 g/mol. Its IUPAC name is 3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N,6-di(propan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N,6-di(propan-2-yl)pyridin-2-amine
• PubChem CID: 24788716
• Molecular Formula: C25H36N4O
• Molecular Weight: 408.59 g/mol
• Exact Mass: 408.29
• IUPAC Name: 3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N,6-di(propan-2-yl)pyridin-2-amine
• SMILES: CC[C@H](COC)n1cc(C)c2nc(-c3ccc(C(C)C)nc3NC(C)C)c(C)cc21
• InChI: InChI=1S/C25H36N4O/c1-9-19(14-30-8)29-13-18(7)24-22(29)12-17(6)23(28-24)20-10-11-21(15(2)3)27-25(20)26-16(4)5/h10-13,15-16,19H,9,14H2,1-8H3,(H,26,27)/t19-/m1/s1
• InChIKey: PROKMMOLMOKJMH-LJQANCHMSA-N
• XLogP: 6.26
• TPSA: 51.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.59
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N,6-di(propan-2-yl)pyridin-2-amine?

The IUPAC name of 3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N,6-di(propan-2-yl)pyridin-2-amine (CID 24788716) is 3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N,6-di(propan-2-yl)pyridin-2-amine.

What is the SMILES notation for 3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N,6-di(propan-2-yl)pyridin-2-amine?

The canonical SMILES for 3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N,6-di(propan-2-yl)pyridin-2-amine is CC[C@H](COC)n1cc(C)c2nc(-c3ccc(C(C)C)nc3NC(C)C)c(C)cc21.

What is the InChIKey of 3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N,6-di(propan-2-yl)pyridin-2-amine?

The InChIKey is PROKMMOLMOKJMH-LJQANCHMSA-N. The full InChI is InChI=1S/C25H36N4O/c1-9-19(14-30-8)29-13-18(7)24-22(29)12-17(6)23(28-24)20-10-11-21(15(2)3)27-25(20)26-16(4)5/h10-13,15-16,19H,9,14H2,1-8H3,(H,26,27)/t19-/m1/s1.

What are the key properties of 3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N,6-di(propan-2-yl)pyridin-2-amine?

3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N,6-di(propan-2-yl)pyridin-2-amine has a molecular weight of 408.59 g/mol, XLogP of 6.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N,6-di(propan-2-yl)pyridin-2-amine is sourced from PubChem (CID 24788716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).