5-[2-[(2R,6S)-6-[5-[2-[(2R,4R,6S)-6-(3-chloro-2-pyridinyl)-4-methoxypiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-6-[5-(1-methyl-2-oxopiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-methylpiperidin-2-one

C71H83ClN16O3 — CID 145424767

About 5-[2-[(2R,6S)-6-[5-[2-[(2R,4R,6S)-6-(3-chloro-2-pyridinyl)-4-methoxypiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-6-[5-(1-methyl-2-oxopiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-methylpiperidin-2-one

5-[2-[(2R,6S)-6-[5-[2-[(2R,4R,6S)-6-(3-chloro-2-pyridinyl)-4-methoxypiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-6-[5-(1-methyl-2-oxopiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-methylpiperidin-2-one (PubChem CID 145424767) has the molecular formula C71H83ClN16O3 and a molecular weight of 1244.01 g/mol. Its IUPAC name is 5-[2-[(2R,6S)-6-[5-[2-[(2R,4R,6S)-6-(3-chloro-2-pyridinyl)-4-methoxypiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-6-[5-(1-methyl-2-oxopiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-methylpiperidin-2-one.

Molecular Properties

• Compound Name: 5-[2-[(2R,6S)-6-[5-[2-[(2R,4R,6S)-6-(3-chloro-2-pyridinyl)-4-methoxypiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-6-[5-(1-methyl-2-oxopiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-methylpiperidin-2-one
• PubChem CID: 145424767
• Molecular Formula: C71H83ClN16O3
• Molecular Weight: 1244.01 g/mol
• Exact Mass: 1242.65
• IUPAC Name: 5-[2-[(2R,6S)-6-[5-[2-[(2R,4R,6S)-6-(3-chloro-2-pyridinyl)-4-methoxypiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-6-[5-(1-methyl-2-oxopiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-methylpiperidin-2-one
• SMILES: CO[C@H]1C[C@@H](c2ncccc2Cl)N[C@@H](c2cn3c(N4CCN(C)CC4)ccc(-c4cnc([C@@H]5CCC[C@H](c6cn7c(C8CCC(=O)N(C)C8)cc(-c8cnc([C@@H]9CCC[C@H](c%10cn%11c(C%12CCN(C)C(=O)C%12)cccc%11n%10)N9)c(C)c8)cc7n6)N5)c(C)c4)c3n2)C1
• InChI: InChI=1S/C71H83ClN16O3/c1-42-29-47(36-74-68(42)54-14-7-12-52(76-54)58-39-86-61(16-9-17-63(86)79-58)44-22-24-83(4)67(90)33-44)46-31-62(45-18-21-66(89)84(5)38-45)87-40-59(80-64(87)32-46)53-13-8-15-55(77-53)69-43(2)30-48(37-75-69)50-19-20-65(85-27-25-82(3)26-28-85)88-41-60(81-71(50)88)56-34-49(91-6)35-57(78-56)70-51(72)11-10-23-73-70/h9-11,16-17,19-20,23,29-32,36-37,39-41,44-45,49,52-57,76-78H,7-8,12-15,18,21-22,24-28,33-35,38H2,1-6H3/t44?,45?,49-,52-,53-,54+,55+,56-,57+/m1/s1
• InChIKey: NEUKCKBRMCPIOL-WPJANDLKSA-N
• XLogP: 11.13
• TPSA: 182.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1244.01
LogP ≤ 5	11.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R,6S)-6-[5-[2-[(2R,4R,6S)-6-(3-chloro-2-pyridinyl)-4-methoxypiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-6-[5-(1-methyl-2-oxopiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-methylpiperidin-2-one?

The IUPAC name of 5-[2-[(2R,6S)-6-[5-[2-[(2R,4R,6S)-6-(3-chloro-2-pyridinyl)-4-methoxypiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-6-[5-(1-methyl-2-oxopiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-methylpiperidin-2-one (CID 145424767) is 5-[2-[(2R,6S)-6-[5-[2-[(2R,4R,6S)-6-(3-chloro-2-pyridinyl)-4-methoxypiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-6-[5-(1-methyl-2-oxopiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-methylpiperidin-2-one.

What is the SMILES notation for 5-[2-[(2R,6S)-6-[5-[2-[(2R,4R,6S)-6-(3-chloro-2-pyridinyl)-4-methoxypiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-6-[5-(1-methyl-2-oxopiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-methylpiperidin-2-one?

The canonical SMILES for 5-[2-[(2R,6S)-6-[5-[2-[(2R,4R,6S)-6-(3-chloro-2-pyridinyl)-4-methoxypiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-6-[5-(1-methyl-2-oxopiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-methylpiperidin-2-one is CO[C@H]1C[C@@H](c2ncccc2Cl)N[C@@H](c2cn3c(N4CCN(C)CC4)ccc(-c4cnc([C@@H]5CCC[C@H](c6cn7c(C8CCC(=O)N(C)C8)cc(-c8cnc([C@@H]9CCC[C@H](c%10cn%11c(C%12CCN(C)C(=O)C%12)cccc%11n%10)N9)c(C)c8)cc7n6)N5)c(C)c4)c3n2)C1.

What is the InChIKey of 5-[2-[(2R,6S)-6-[5-[2-[(2R,4R,6S)-6-(3-chloro-2-pyridinyl)-4-methoxypiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-6-[5-(1-methyl-2-oxopiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-methylpiperidin-2-one?

The InChIKey is NEUKCKBRMCPIOL-WPJANDLKSA-N. The full InChI is InChI=1S/C71H83ClN16O3/c1-42-29-47(36-74-68(42)54-14-7-12-52(76-54)58-39-86-61(16-9-17-63(86)79-58)44-22-24-83(4)67(90)33-44)46-31-62(45-18-21-66(89)84(5)38-45)87-40-59(80-64(87)32-46)53-13-8-15-55(77-53)69-43(2)30-48(37-75-69)50-19-20-65(85-27-25-82(3)26-28-85)88-41-60(81-71(50)88)56-34-49(91-6)35-57(78-56)70-51(72)11-10-23-73-70/h9-11,16-17,19-20,23,29-32,36-37,39-41,44-45,49,52-57,76-78H,7-8,12-15,18,21-22,24-28,33-35,38H2,1-6H3/t44?,45?,49-,52-,53-,54+,55+,56-,57+/m1/s1.

What are the key properties of 5-[2-[(2R,6S)-6-[5-[2-[(2R,4R,6S)-6-(3-chloro-2-pyridinyl)-4-methoxypiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-6-[5-(1-methyl-2-oxopiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-methylpiperidin-2-one?

5-[2-[(2R,6S)-6-[5-[2-[(2R,4R,6S)-6-(3-chloro-2-pyridinyl)-4-methoxypiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-6-[5-(1-methyl-2-oxopiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-methylpiperidin-2-one has a molecular weight of 1244.01 g/mol, XLogP of 11.13, 12 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2R,6S)-6-[5-[2-[(2R,4R,6S)-6-(3-chloro-2-pyridinyl)-4-methoxypiperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-8-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-7-[5-methyl-6-[(2S,6R)-6-[5-(1-methyl-2-oxopiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-methylpiperidin-2-one is sourced from PubChem (CID 145424767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).