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

C23H25ClN8O3S — CID 58925809

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

N-[3-[5-[2-chloro-4-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 58925809) has the molecular formula C23H25ClN8O3S and a molecular weight of 529.03 g/mol. Its IUPAC name is N-[3-[5-[2-chloro-4-[2-[2-(dimethylamino)ethylamino]-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-[2-(dimethylamino)ethylamino]-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
• PubChem CID: 58925809
• Molecular Formula: C23H25ClN8O3S
• Molecular Weight: 529.03 g/mol
• Exact Mass: 528.15
• IUPAC Name: N-[3-[5-[2-chloro-4-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
• SMILES: CN(C)CCNC(=O)COc1ccc(-c2cncn2-c2n[nH]c3nc(NC(=O)C4CC4)sc23)c(Cl)c1
• InChI: InChI=1S/C23H25ClN8O3S/c1-31(2)8-7-26-18(33)11-35-14-5-6-15(16(24)9-14)17-10-25-12-32(17)21-19-20(29-30-21)27-23(36-19)28-22(34)13-3-4-13/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H,26,33)(H2,27,28,29,30,34)
• InChIKey: STHIPGSNUYRZDB-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 130.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.03
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[2-chloro-4-[2-[2-(dimethylamino)ethylamino]-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-[2-(dimethylamino)ethylamino]-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 58925809) is N-[3-[5-[2-chloro-4-[2-[2-(dimethylamino)ethylamino]-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-[2-(dimethylamino)ethylamino]-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-[2-(dimethylamino)ethylamino]-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is CN(C)CCNC(=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-[2-(dimethylamino)ethylamino]-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?

The InChIKey is STHIPGSNUYRZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN8O3S/c1-31(2)8-7-26-18(33)11-35-14-5-6-15(16(24)9-14)17-10-25-12-32(17)21-19-20(29-30-21)27-23(36-19)28-22(34)13-3-4-13/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H,26,33)(H2,27,28,29,30,34).

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

N-[3-[5-[2-chloro-4-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide has a molecular weight of 529.03 g/mol, XLogP of 2.93, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[2-chloro-4-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58925809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).