N-[3-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

C23H24ClN7O3S — CID 58925666

About N-[3-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

N-[3-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 58925666) has the molecular formula C23H24ClN7O3S and a molecular weight of 514.01 g/mol. Its IUPAC name is N-[3-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[3-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
• PubChem CID: 58925666
• Molecular Formula: C23H24ClN7O3S
• Molecular Weight: 514.01 g/mol
• Exact Mass: 513.13
• IUPAC Name: N-[3-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
• SMILES: O=C(Nc1nc2[nH]nc(-n3cncc3-c3ccc(OCCN4CCOCC4)cc3Cl)c2s1)C1CC1
• InChI: InChI=1S/C23H24ClN7O3S/c24-17-11-15(34-10-7-30-5-8-33-9-6-30)3-4-16(17)18-12-25-13-31(18)21-19-20(28-29-21)26-23(35-19)27-22(32)14-1-2-14/h3-4,11-14H,1-2,5-10H2,(H2,26,27,28,29,32)
• InChIKey: ROFRPQFBBQFXKD-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 110.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.01
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?

The IUPAC name of N-[3-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 58925666) is N-[3-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[3-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[3-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is O=C(Nc1nc2[nH]nc(-n3cncc3-c3ccc(OCCN4CCOCC4)cc3Cl)c2s1)C1CC1.

What is the InChIKey of N-[3-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?

The InChIKey is ROFRPQFBBQFXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O3S/c24-17-11-15(34-10-7-30-5-8-33-9-6-30)3-4-16(17)18-12-25-13-31(18)21-19-20(28-29-21)26-23(35-19)27-22(32)14-1-2-14/h3-4,11-14H,1-2,5-10H2,(H2,26,27,28,29,32).

What are the key properties of N-[3-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?

N-[3-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide has a molecular weight of 514.01 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58925666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).