N-[2-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-3-hydroxypropyl]acetamide;pentan-1-ol

C28H35ClN6O4 — CID 68592884

About N-[2-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-3-hydroxypropyl]acetamide;pentan-1-ol

N-[2-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-3-hydroxypropyl]acetamide;pentan-1-ol (PubChem CID 68592884) has the molecular formula C28H35ClN6O4 and a molecular weight of 555.08 g/mol. Its IUPAC name is N-[2-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-3-hydroxypropyl]acetamide;pentan-1-ol.

Molecular Properties

• Compound Name: N-[2-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-3-hydroxypropyl]acetamide;pentan-1-ol
• PubChem CID: 68592884
• Molecular Formula: C28H35ClN6O4
• Molecular Weight: 555.08 g/mol
• Exact Mass: 554.24
• IUPAC Name: N-[2-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-3-hydroxypropyl]acetamide;pentan-1-ol
• SMILES: CCCCCO.COc1cc(C(CO)CNC(C)=O)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
• InChI: InChI=1S/C23H23ClN6O3.C5H12O/c1-14(32)25-10-16(13-31)15-6-7-18(20(9-15)33-2)28-23-27-11-17(24)22(29-23)19-12-26-21-5-3-4-8-30(19)21;1-2-3-4-5-6/h3-9,11-12,16,31H,10,13H2,1-2H3,(H,25,32)(H,27,28,29);6H,2-5H2,1H3
• InChIKey: HSEAQWNZTZSHOC-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 133.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.08
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-3-hydroxypropyl]acetamide;pentan-1-ol?

The IUPAC name of N-[2-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-3-hydroxypropyl]acetamide;pentan-1-ol (CID 68592884) is N-[2-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-3-hydroxypropyl]acetamide;pentan-1-ol.

What is the SMILES notation for N-[2-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-3-hydroxypropyl]acetamide;pentan-1-ol?

The canonical SMILES for N-[2-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-3-hydroxypropyl]acetamide;pentan-1-ol is CCCCCO.COc1cc(C(CO)CNC(C)=O)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.

What is the InChIKey of N-[2-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-3-hydroxypropyl]acetamide;pentan-1-ol?

The InChIKey is HSEAQWNZTZSHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O3.C5H12O/c1-14(32)25-10-16(13-31)15-6-7-18(20(9-15)33-2)28-23-27-11-17(24)22(29-23)19-12-26-21-5-3-4-8-30(19)21;1-2-3-4-5-6/h3-9,11-12,16,31H,10,13H2,1-2H3,(H,25,32)(H,27,28,29);6H,2-5H2,1H3.

What are the key properties of N-[2-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-3-hydroxypropyl]acetamide;pentan-1-ol?

N-[2-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-3-hydroxypropyl]acetamide;pentan-1-ol has a molecular weight of 555.08 g/mol, XLogP of 4.58, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-3-hydroxypropyl]acetamide;pentan-1-ol is sourced from PubChem (CID 68592884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).