tert-butyl N-[2-[2-[2-[2-[2-[[4-[[5-(4-aminophenyl)-4-cyano-1H-pyrazol-3-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

C30H41N7O7 — CID 168945781

About tert-butyl N-[2-[2-[2-[2-[2-[[4-[[5-(4-aminophenyl)-4-cyano-1H-pyrazol-3-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-[2-[2-[2-[[4-[[5-(4-aminophenyl)-4-cyano-1H-pyrazol-3-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 168945781) has the molecular formula C30H41N7O7 and a molecular weight of 611.70 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-[2-[[4-[[5-(4-aminophenyl)-4-cyano-1H-pyrazol-3-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-[2-[2-[2-[[4-[[5-(4-aminophenyl)-4-cyano-1H-pyrazol-3-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
• PubChem CID: 168945781
• Molecular Formula: C30H41N7O7
• Molecular Weight: 611.70 g/mol
• Exact Mass: 611.31
• IUPAC Name: tert-butyl N-[2-[2-[2-[2-[2-[[4-[[5-(4-aminophenyl)-4-cyano-1H-pyrazol-3-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOc1cc(Nc2n[nH]c(-c3ccc(N)cc3)c2C#N)ccn1
• InChI: InChI=1S/C30H41N7O7/c1-30(2,3)44-29(38)34-10-11-39-12-13-40-14-15-41-16-17-42-18-19-43-26-20-24(8-9-33-26)35-28-25(21-31)27(36-37-28)22-4-6-23(32)7-5-22/h4-9,20H,10-19,32H2,1-3H3,(H,34,38)(H2,33,35,36,37)
• InChIKey: JBKZBNMUYOHVTJ-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 187.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.70
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-[[4-[[5-(4-aminophenyl)-4-cyano-1H-pyrazol-3-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-[[4-[[5-(4-aminophenyl)-4-cyano-1H-pyrazol-3-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 168945781) is tert-butyl N-[2-[2-[2-[2-[2-[[4-[[5-(4-aminophenyl)-4-cyano-1H-pyrazol-3-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-[2-[[4-[[5-(4-aminophenyl)-4-cyano-1H-pyrazol-3-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[2-[2-[2-[2-[[4-[[5-(4-aminophenyl)-4-cyano-1H-pyrazol-3-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOc1cc(Nc2n[nH]c(-c3ccc(N)cc3)c2C#N)ccn1.

What is the InChIKey of tert-butyl N-[2-[2-[2-[2-[2-[[4-[[5-(4-aminophenyl)-4-cyano-1H-pyrazol-3-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The InChIKey is JBKZBNMUYOHVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N7O7/c1-30(2,3)44-29(38)34-10-11-39-12-13-40-14-15-41-16-17-42-18-19-43-26-20-24(8-9-33-26)35-28-25(21-31)27(36-37-28)22-4-6-23(32)7-5-22/h4-9,20H,10-19,32H2,1-3H3,(H,34,38)(H2,33,35,36,37).

What are the key properties of tert-butyl N-[2-[2-[2-[2-[2-[[4-[[5-(4-aminophenyl)-4-cyano-1H-pyrazol-3-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

tert-butyl N-[2-[2-[2-[2-[2-[[4-[[5-(4-aminophenyl)-4-cyano-1H-pyrazol-3-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 611.70 g/mol, XLogP of 3.64, 19 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-[2-[2-[2-[[4-[[5-(4-aminophenyl)-4-cyano-1H-pyrazol-3-yl]amino]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 168945781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).