1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-ethylindol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate

C117H121Cl6FN26O9 — CID 157497242

About 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-ethylindol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate

1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-ethylindol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 157497242) has the molecular formula C117H121Cl6FN26O9 and a molecular weight of 2267.14 g/mol. Its IUPAC name is 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-ethylindol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-ethylindol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate
• PubChem CID: 157497242
• Molecular Formula: C117H121Cl6FN26O9
• Molecular Weight: 2267.14 g/mol
• Exact Mass: 2262.79
• IUPAC Name: 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-ethylindol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate
• SMILES: CCn1ccc2cc(-c3nc4ccccn4c3NCC(=O)N3CCN(c4c(Cl)cncc4Cl)CC3)ccc21.COC(=O)c1ccn2c(NCC(=O)N3CCN(c4c(Cl)cncc4Cl)CC3)c(-c3ccc(N4CCOCC4)cc3)nc2c1.COc1ccccc1C1CCN(C(=O)CNc2c(-c3ccc(N4CCCC4)cc3)nc3ccccn23)CC1.O=C(CNc1c(-c2ccc(N3CCOCC3)cc2)nc2ccc(F)cn12)N1CCN(c2c(Cl)cncc2Cl)CC1
• InChI: InChI=1S/C31H35N5O2.C30H31Cl2N7O4.C28H28Cl2FN7O2.C28H27Cl2N7O/c1-38-27-9-3-2-8-26(27)23-15-20-35(21-16-23)29(37)22-32-31-30(33-28-10-4-5-19-36(28)31)24-11-13-25(14-12-24)34-17-6-7-18-34;1-42-30(41)21-6-7-39-25(16-21)35-27(20-2-4-22(5-3-20)36-12-14-43-15-13-36)29(39)34-19-26(40)37-8-10-38(11-9-37)28-23(31)17-33-18-24(28)32;29-22-15-32-16-23(30)27(22)37-9-7-36(8-10-37)25(39)17-33-28-26(34-24-6-3-20(31)18-38(24)28)19-1-4-21(5-2-19)35-11-13-40-14-12-35;1-2-34-10-8-19-15-20(6-7-23(19)34)26-28(37-9-4-3-5-24(37)33-26)32-18-25(38)35-11-13-36(14-12-35)27-21(29)16-31-17-22(27)30/h2-5,8-14,19,23,32H,6-7,15-18,20-22H2,1H3;2-7,16-18,34H,8-15,19H2,1H3;1-6,15-16,18,33H,7-14,17H2;3-10,15-17,32H,2,11-14,18H2,1H3
• InChIKey: BXZCLYGPXXIRSG-UHFFFAOYSA-N
• XLogP: 19.39
• TPSA: 315.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2267.14
LogP ≤ 5	19.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-ethylindol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate?

The IUPAC name of 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-ethylindol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate (CID 157497242) is 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-ethylindol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate.

What is the SMILES notation for 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-ethylindol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate?

The canonical SMILES for 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-ethylindol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate is CCn1ccc2cc(-c3nc4ccccn4c3NCC(=O)N3CCN(c4c(Cl)cncc4Cl)CC3)ccc21.COC(=O)c1ccn2c(NCC(=O)N3CCN(c4c(Cl)cncc4Cl)CC3)c(-c3ccc(N4CCOCC4)cc3)nc2c1.COc1ccccc1C1CCN(C(=O)CNc2c(-c3ccc(N4CCCC4)cc3)nc3ccccn23)CC1.O=C(CNc1c(-c2ccc(N3CCOCC3)cc2)nc2ccc(F)cn12)N1CCN(c2c(Cl)cncc2Cl)CC1.

What is the InChIKey of 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-ethylindol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate?

The InChIKey is BXZCLYGPXXIRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O2.C30H31Cl2N7O4.C28H28Cl2FN7O2.C28H27Cl2N7O/c1-38-27-9-3-2-8-26(27)23-15-20-35(21-16-23)29(37)22-32-31-30(33-28-10-4-5-19-36(28)31)24-11-13-25(14-12-24)34-17-6-7-18-34;1-42-30(41)21-6-7-39-25(16-21)35-27(20-2-4-22(5-3-20)36-12-14-43-15-13-36)29(39)34-19-26(40)37-8-10-38(11-9-37)28-23(31)17-33-18-24(28)32;29-22-15-32-16-23(30)27(22)37-9-7-36(8-10-37)25(39)17-33-28-26(34-24-6-3-20(31)18-38(24)28)19-1-4-21(5-2-19)35-11-13-40-14-12-35;1-2-34-10-8-19-15-20(6-7-23(19)34)26-28(37-9-4-3-5-24(37)33-26)32-18-25(38)35-11-13-36(14-12-35)27-21(29)16-31-17-22(27)30/h2-5,8-14,19,23,32H,6-7,15-18,20-22H2,1H3;2-7,16-18,34H,8-15,19H2,1H3;1-6,15-16,18,33H,7-14,17H2;3-10,15-17,32H,2,11-14,18H2,1H3.

What are the key properties of 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-ethylindol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate?

1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-ethylindol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 2267.14 g/mol, XLogP of 19.39, 26 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[2-(1-ethylindol-5-yl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-[[6-fluoro-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone;methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 157497242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).