N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[7-(2-fluoro-6-hydroxyphenyl)-6-methyl-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide

C46H47ClF2N10O6 — CID 161247399

About N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[7-(2-fluoro-6-hydroxyphenyl)-6-methyl-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide

N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[7-(2-fluoro-6-hydroxyphenyl)-6-methyl-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide (PubChem CID 161247399) has the molecular formula C46H47ClF2N10O6 and a molecular weight of 909.39 g/mol. Its IUPAC name is N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[7-(2-fluoro-6-hydroxyphenyl)-6-methyl-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[7-(2-fluoro-6-hydroxyphenyl)-6-methyl-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
• PubChem CID: 161247399
• Molecular Formula: C46H47ClF2N10O6
• Molecular Weight: 909.39 g/mol
• Exact Mass: 908.33
• IUPAC Name: N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[7-(2-fluoro-6-hydroxyphenyl)-6-methyl-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
• SMILES: C=CC(=O)N1CCN(c2c(NC(C)=O)nc3cc(-c4c(F)cccc4OC)c(Cl)cn23)CC1.C=CC(=O)N1CCN(c2c(NC(C)=O)nc3cc(-c4c(O)cccc4F)c(C)cn23)CC1
• InChI: InChI=1S/C23H23ClFN5O3.C23H24FN5O3/c1-4-20(32)28-8-10-29(11-9-28)23-22(26-14(2)31)27-19-12-15(16(24)13-30(19)23)21-17(25)6-5-7-18(21)33-3;1-4-20(32)27-8-10-28(11-9-27)23-22(25-15(3)30)26-19-12-16(14(2)13-29(19)23)21-17(24)6-5-7-18(21)31/h4-7,12-13H,1,8-11H2,2-3H3,(H,26,31);4-7,12-13,31H,1,8-11H2,2-3H3,(H,25,30)
• InChIKey: VAUXKJAUPQINMC-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 169.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	909.39
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[7-(2-fluoro-6-hydroxyphenyl)-6-methyl-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide?

The IUPAC name of N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[7-(2-fluoro-6-hydroxyphenyl)-6-methyl-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide (CID 161247399) is N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[7-(2-fluoro-6-hydroxyphenyl)-6-methyl-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide.

What is the SMILES notation for N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[7-(2-fluoro-6-hydroxyphenyl)-6-methyl-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide?

The canonical SMILES for N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[7-(2-fluoro-6-hydroxyphenyl)-6-methyl-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide is C=CC(=O)N1CCN(c2c(NC(C)=O)nc3cc(-c4c(F)cccc4OC)c(Cl)cn23)CC1.C=CC(=O)N1CCN(c2c(NC(C)=O)nc3cc(-c4c(O)cccc4F)c(C)cn23)CC1.

What is the InChIKey of N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[7-(2-fluoro-6-hydroxyphenyl)-6-methyl-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide?

The InChIKey is VAUXKJAUPQINMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5O3.C23H24FN5O3/c1-4-20(32)28-8-10-29(11-9-28)23-22(26-14(2)31)27-19-12-15(16(24)13-30(19)23)21-17(25)6-5-7-18(21)33-3;1-4-20(32)27-8-10-28(11-9-27)23-22(25-15(3)30)26-19-12-16(14(2)13-29(19)23)21-17(24)6-5-7-18(21)31/h4-7,12-13H,1,8-11H2,2-3H3,(H,26,31);4-7,12-13,31H,1,8-11H2,2-3H3,(H,25,30).

What are the key properties of N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[7-(2-fluoro-6-hydroxyphenyl)-6-methyl-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide?

N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[7-(2-fluoro-6-hydroxyphenyl)-6-methyl-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide has a molecular weight of 909.39 g/mol, XLogP of 6.54, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[7-(2-fluoro-6-hydroxyphenyl)-6-methyl-3-(4-prop-2-enoylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 161247399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).