4-[6-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-5-(1-amino-3-methylimidazo[1,5-a]pyridin-5-yl)-2-pyridinyl]-2-methylbut-3-yn-2-ol

C26H25F2N5O — CID 155478255

About 4-[6-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-5-(1-amino-3-methylimidazo[1,5-a]pyridin-5-yl)-2-pyridinyl]-2-methylbut-3-yn-2-ol

4-[6-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-5-(1-amino-3-methylimidazo[1,5-a]pyridin-5-yl)-2-pyridinyl]-2-methylbut-3-yn-2-ol (PubChem CID 155478255) has the molecular formula C26H25F2N5O and a molecular weight of 461.52 g/mol. Its IUPAC name is 4-[6-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-5-(1-amino-3-methylimidazo[1,5-a]pyridin-5-yl)-2-pyridinyl]-2-methylbut-3-yn-2-ol.

Molecular Properties

• Compound Name: 4-[6-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-5-(1-amino-3-methylimidazo[1,5-a]pyridin-5-yl)-2-pyridinyl]-2-methylbut-3-yn-2-ol
• PubChem CID: 155478255
• Molecular Formula: C26H25F2N5O
• Molecular Weight: 461.52 g/mol
• Exact Mass: 461.20
• IUPAC Name: 4-[6-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-5-(1-amino-3-methylimidazo[1,5-a]pyridin-5-yl)-2-pyridinyl]-2-methylbut-3-yn-2-ol
• SMILES: Cc1nc(N)c2cccc(-c3ccc(C#CC(C)(C)O)nc3[C@@H](N)Cc3cc(F)cc(F)c3)n12
• InChI: InChI=1S/C26H25F2N5O/c1-15-31-25(30)23-6-4-5-22(33(15)23)20-8-7-19(9-10-26(2,3)34)32-24(20)21(29)13-16-11-17(27)14-18(28)12-16/h4-8,11-12,14,21,34H,13,29-30H2,1-3H3/t21-/m0/s1
• InChIKey: YROYEVHWUQMVKD-NRFANRHFSA-N
• XLogP: 3.93
• TPSA: 102.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.52
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-5-(1-amino-3-methylimidazo[1,5-a]pyridin-5-yl)-2-pyridinyl]-2-methylbut-3-yn-2-ol?

The IUPAC name of 4-[6-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-5-(1-amino-3-methylimidazo[1,5-a]pyridin-5-yl)-2-pyridinyl]-2-methylbut-3-yn-2-ol (CID 155478255) is 4-[6-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-5-(1-amino-3-methylimidazo[1,5-a]pyridin-5-yl)-2-pyridinyl]-2-methylbut-3-yn-2-ol.

What is the SMILES notation for 4-[6-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-5-(1-amino-3-methylimidazo[1,5-a]pyridin-5-yl)-2-pyridinyl]-2-methylbut-3-yn-2-ol?

The canonical SMILES for 4-[6-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-5-(1-amino-3-methylimidazo[1,5-a]pyridin-5-yl)-2-pyridinyl]-2-methylbut-3-yn-2-ol is Cc1nc(N)c2cccc(-c3ccc(C#CC(C)(C)O)nc3[C@@H](N)Cc3cc(F)cc(F)c3)n12.

What is the InChIKey of 4-[6-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-5-(1-amino-3-methylimidazo[1,5-a]pyridin-5-yl)-2-pyridinyl]-2-methylbut-3-yn-2-ol?

The InChIKey is YROYEVHWUQMVKD-NRFANRHFSA-N. The full InChI is InChI=1S/C26H25F2N5O/c1-15-31-25(30)23-6-4-5-22(33(15)23)20-8-7-19(9-10-26(2,3)34)32-24(20)21(29)13-16-11-17(27)14-18(28)12-16/h4-8,11-12,14,21,34H,13,29-30H2,1-3H3/t21-/m0/s1.

What are the key properties of 4-[6-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-5-(1-amino-3-methylimidazo[1,5-a]pyridin-5-yl)-2-pyridinyl]-2-methylbut-3-yn-2-ol?

4-[6-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-5-(1-amino-3-methylimidazo[1,5-a]pyridin-5-yl)-2-pyridinyl]-2-methylbut-3-yn-2-ol has a molecular weight of 461.52 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-5-(1-amino-3-methylimidazo[1,5-a]pyridin-5-yl)-2-pyridinyl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 155478255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).