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

C26H28ClN7O3S — CID 58925695

About N-[3-[5-[2-chloro-4-[2-(2-cyclopentylethylamino)-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-cyclopentylethylamino)-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 58925695) has the molecular formula C26H28ClN7O3S and a molecular weight of 554.08 g/mol. Its IUPAC name is N-[3-[5-[2-chloro-4-[2-(2-cyclopentylethylamino)-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-cyclopentylethylamino)-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
• PubChem CID: 58925695
• Molecular Formula: C26H28ClN7O3S
• Molecular Weight: 554.08 g/mol
• Exact Mass: 553.17
• IUPAC Name: N-[3-[5-[2-chloro-4-[2-(2-cyclopentylethylamino)-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
• SMILES: O=C(COc1ccc(-c2cncn2-c2n[nH]c3nc(NC(=O)C4CC4)sc23)c(Cl)c1)NCCC1CCCC1
• InChI: InChI=1S/C26H28ClN7O3S/c27-19-11-17(37-13-21(35)29-10-9-15-3-1-2-4-15)7-8-18(19)20-12-28-14-34(20)24-22-23(32-33-24)30-26(38-22)31-25(36)16-5-6-16/h7-8,11-12,14-16H,1-6,9-10,13H2,(H,29,35)(H2,30,31,32,33,36)
• InChIKey: ZGTNFUQGDYJWHN-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 126.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.08
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[2-chloro-4-[2-(2-cyclopentylethylamino)-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-cyclopentylethylamino)-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 58925695) is N-[3-[5-[2-chloro-4-[2-(2-cyclopentylethylamino)-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-cyclopentylethylamino)-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-cyclopentylethylamino)-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is O=C(COc1ccc(-c2cncn2-c2n[nH]c3nc(NC(=O)C4CC4)sc23)c(Cl)c1)NCCC1CCCC1.

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

The InChIKey is ZGTNFUQGDYJWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN7O3S/c27-19-11-17(37-13-21(35)29-10-9-15-3-1-2-4-15)7-8-18(19)20-12-28-14-34(20)24-22-23(32-33-24)30-26(38-22)31-25(36)16-5-6-16/h7-8,11-12,14-16H,1-6,9-10,13H2,(H,29,35)(H2,30,31,32,33,36).

What are the key properties of N-[3-[5-[2-chloro-4-[2-(2-cyclopentylethylamino)-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-cyclopentylethylamino)-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide has a molecular weight of 554.08 g/mol, XLogP of 4.95, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[2-chloro-4-[2-(2-cyclopentylethylamino)-2-oxoethoxy]phenyl]imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58925695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).