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

C23H24ClN7O3S — CID 58925658

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

N-[3-[5-[2-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 58925658) 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-(diethylamino)-2-oxoethoxy]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-(diethylamino)-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
• PubChem CID: 58925658
• Molecular Formula: C23H24ClN7O3S
• Molecular Weight: 514.01 g/mol
• Exact Mass: 513.13
• IUPAC Name: N-[3-[5-[2-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
• SMILES: CCN(CC)C(=O)COc1ccc(-c2cncn2-c2n[nH]c3nc(NC(=O)C4CC4)sc23)c(Cl)c1
• InChI: InChI=1S/C23H24ClN7O3S/c1-3-30(4-2)18(32)11-34-14-7-8-15(16(24)9-14)17-10-25-12-31(17)21-19-20(28-29-21)26-23(35-19)27-22(33)13-5-6-13/h7-10,12-13H,3-6,11H2,1-2H3,(H2,26,27,28,29,33)
• InChIKey: YZODJXYRNHOUPH-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 118.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.01
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[2-chloro-4-[2-(diethylamino)-2-oxoethoxy]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-(diethylamino)-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 58925658) is N-[3-[5-[2-chloro-4-[2-(diethylamino)-2-oxoethoxy]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-(diethylamino)-2-oxoethoxy]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-(diethylamino)-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is CCN(CC)C(=O)COc1ccc(-c2cncn2-c2n[nH]c3nc(NC(=O)C4CC4)sc23)c(Cl)c1.

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

The InChIKey is YZODJXYRNHOUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O3S/c1-3-30(4-2)18(32)11-34-14-7-8-15(16(24)9-14)17-10-25-12-31(17)21-19-20(28-29-21)26-23(35-19)27-22(33)13-5-6-13/h7-10,12-13H,3-6,11H2,1-2H3,(H2,26,27,28,29,33).

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

N-[3-[5-[2-chloro-4-[2-(diethylamino)-2-oxoethoxy]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 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[2-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58925658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).