5-amino-3-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]phenyl]pyrazole-1-carboxamide

C27H33N7O3 — CID 130424549

About 5-amino-3-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]phenyl]pyrazole-1-carboxamide

5-amino-3-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]phenyl]pyrazole-1-carboxamide (PubChem CID 130424549) has the molecular formula C27H33N7O3 and a molecular weight of 503.61 g/mol. Its IUPAC name is 5-amino-3-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]phenyl]pyrazole-1-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]phenyl]pyrazole-1-carboxamide
• PubChem CID: 130424549
• Molecular Formula: C27H33N7O3
• Molecular Weight: 503.61 g/mol
• Exact Mass: 503.26
• IUPAC Name: 5-amino-3-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]phenyl]pyrazole-1-carboxamide
• SMILES: CC(C)(C)c1cc(N)n(C(=O)Nc2ccc(-n3cnc4cc(OCCN5CCOCC5)ccc43)cc2)n1
• InChI: InChI=1S/C27H33N7O3/c1-27(2,3)24-17-25(28)34(31-24)26(35)30-19-4-6-20(7-5-19)33-18-29-22-16-21(8-9-23(22)33)37-15-12-32-10-13-36-14-11-32/h4-9,16-18H,10-15,28H2,1-3H3,(H,30,35)
• InChIKey: AWSZIUODKVRCSG-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 112.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.61
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]phenyl]pyrazole-1-carboxamide?

The IUPAC name of 5-amino-3-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]phenyl]pyrazole-1-carboxamide (CID 130424549) is 5-amino-3-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]phenyl]pyrazole-1-carboxamide.

What is the SMILES notation for 5-amino-3-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]phenyl]pyrazole-1-carboxamide?

The canonical SMILES for 5-amino-3-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]phenyl]pyrazole-1-carboxamide is CC(C)(C)c1cc(N)n(C(=O)Nc2ccc(-n3cnc4cc(OCCN5CCOCC5)ccc43)cc2)n1.

What is the InChIKey of 5-amino-3-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]phenyl]pyrazole-1-carboxamide?

The InChIKey is AWSZIUODKVRCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O3/c1-27(2,3)24-17-25(28)34(31-24)26(35)30-19-4-6-20(7-5-19)33-18-29-22-16-21(8-9-23(22)33)37-15-12-32-10-13-36-14-11-32/h4-9,16-18H,10-15,28H2,1-3H3,(H,30,35).

What are the key properties of 5-amino-3-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]phenyl]pyrazole-1-carboxamide?

5-amino-3-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]phenyl]pyrazole-1-carboxamide has a molecular weight of 503.61 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-tert-butyl-N-[4-[5-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 130424549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).