tert-butyl-[2-[2-[2-[2-[4-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]carbamic acid

C30H38N10O5 — CID 138694404

About tert-butyl-[2-[2-[2-[2-[4-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]carbamic acid

tert-butyl-[2-[2-[2-[2-[4-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]carbamic acid (PubChem CID 138694404) has the molecular formula C30H38N10O5 and a molecular weight of 618.70 g/mol. Its IUPAC name is tert-butyl-[2-[2-[2-[2-[4-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]carbamic acid.

Molecular Properties

• Compound Name: tert-butyl-[2-[2-[2-[2-[4-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]carbamic acid
• PubChem CID: 138694404
• Molecular Formula: C30H38N10O5
• Molecular Weight: 618.70 g/mol
• Exact Mass: 618.30
• IUPAC Name: tert-butyl-[2-[2-[2-[2-[4-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]carbamic acid
• SMILES: CC(C)(C)N(CCOCCOCCOCCn1cc(-c2cnc(-n3ncc4cc(C#N)cnc43)cc2NC2CC2)nn1)C(=O)O
• InChI: InChI=1S/C30H38N10O5/c1-30(2,3)39(29(41)42)7-9-44-11-13-45-12-10-43-8-6-38-20-26(36-37-38)24-19-32-27(15-25(24)35-23-4-5-23)40-28-22(18-34-40)14-21(16-31)17-33-28/h14-15,17-20,23H,4-13H2,1-3H3,(H,32,35)(H,41,42)
• InChIKey: REQFGQITCFGUIZ-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 178.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.70
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[2-[2-[2-[4-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]carbamic acid?

The IUPAC name of tert-butyl-[2-[2-[2-[2-[4-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]carbamic acid (CID 138694404) is tert-butyl-[2-[2-[2-[2-[4-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]carbamic acid.

What is the SMILES notation for tert-butyl-[2-[2-[2-[2-[4-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]carbamic acid?

The canonical SMILES for tert-butyl-[2-[2-[2-[2-[4-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]carbamic acid is CC(C)(C)N(CCOCCOCCOCCn1cc(-c2cnc(-n3ncc4cc(C#N)cnc43)cc2NC2CC2)nn1)C(=O)O.

What is the InChIKey of tert-butyl-[2-[2-[2-[2-[4-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]carbamic acid?

The InChIKey is REQFGQITCFGUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N10O5/c1-30(2,3)39(29(41)42)7-9-44-11-13-45-12-10-43-8-6-38-20-26(36-37-38)24-19-32-27(15-25(24)35-23-4-5-23)40-28-22(18-34-40)14-21(16-31)17-33-28/h14-15,17-20,23H,4-13H2,1-3H3,(H,32,35)(H,41,42).

What are the key properties of tert-butyl-[2-[2-[2-[2-[4-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]carbamic acid?

tert-butyl-[2-[2-[2-[2-[4-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]carbamic acid has a molecular weight of 618.70 g/mol, XLogP of 3.35, 16 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2-[2-[2-[2-[4-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]carbamic acid is sourced from PubChem (CID 138694404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).