3-chloro-2-[(2R,6S)-6-[5-[3-chloro-5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[6-[(2S,6R)-6-[3-chloro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-propan-2-yl-3-pyridinyl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine

C78H99Cl3N18 — CID 155373915

About 3-chloro-2-[(2R,6S)-6-[5-[3-chloro-5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[6-[(2S,6R)-6-[3-chloro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-propan-2-yl-3-pyridinyl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine

3-chloro-2-[(2R,6S)-6-[5-[3-chloro-5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[6-[(2S,6R)-6-[3-chloro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-propan-2-yl-3-pyridinyl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 155373915) has the molecular formula C78H99Cl3N18 and a molecular weight of 1395.13 g/mol. Its IUPAC name is 3-chloro-2-[(2R,6S)-6-[5-[3-chloro-5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[6-[(2S,6R)-6-[3-chloro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-propan-2-yl-3-pyridinyl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 3-chloro-2-[(2R,6S)-6-[5-[3-chloro-5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[6-[(2S,6R)-6-[3-chloro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-propan-2-yl-3-pyridinyl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
• PubChem CID: 155373915
• Molecular Formula: C78H99Cl3N18
• Molecular Weight: 1395.13 g/mol
• Exact Mass: 1392.74
• IUPAC Name: 3-chloro-2-[(2R,6S)-6-[5-[3-chloro-5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[6-[(2S,6R)-6-[3-chloro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-propan-2-yl-3-pyridinyl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine
• SMILES: Cc1cc(-c2cc(N3CCN(C4CC4)CC3)n3c(Cl)c([C@H]4CCC[C@@H](c5ncccc5C)N4C)nc3c2)cnc1[C@@H]1CCC[C@H](c2nc3cc(-c4cnc([C@@H]5CCC[C@H](c6nc7cccc(N8CCN(C)CC8)n7c6Cl)N5C)c(C(C)C)c4)cc(N4CCN(C(C)C)CC4)n3c2Cl)N1C
• InChI: InChI=1S/C78H99Cl3N18/c1-48(2)57-41-55(47-84-72(57)60-19-13-22-61(91(60)10)73-76(79)97-64(85-73)23-14-24-67(97)94-30-28-88(7)29-31-94)53-43-66-87-75(78(81)99(66)69(45-53)95-36-32-92(33-37-95)49(3)4)63-21-12-18-59(90(63)9)71-51(6)40-54(46-83-71)52-42-65-86-74(62-20-11-17-58(89(62)8)70-50(5)16-15-27-82-70)77(80)98(65)68(44-52)96-38-34-93(35-39-96)56-25-26-56/h14-16,23-24,27,40-49,56,58-63H,11-13,17-22,25-26,28-39H2,1-10H3/t58-,59-,60-,61+,62+,63+/m0/s1
• InChIKey: RNBKNWNAJBCOEC-BCROFMHQSA-N
• XLogP: 15.11
• TPSA: 119.73 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1395.13
LogP ≤ 5	15.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of 3-chloro-2-[(2R,6S)-6-[5-[3-chloro-5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[6-[(2S,6R)-6-[3-chloro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-propan-2-yl-3-pyridinyl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 155373915) is 3-chloro-2-[(2R,6S)-6-[5-[3-chloro-5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[6-[(2S,6R)-6-[3-chloro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-propan-2-yl-3-pyridinyl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine.

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

The canonical SMILES for 3-chloro-2-[(2R,6S)-6-[5-[3-chloro-5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[6-[(2S,6R)-6-[3-chloro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-propan-2-yl-3-pyridinyl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine is Cc1cc(-c2cc(N3CCN(C4CC4)CC3)n3c(Cl)c([C@H]4CCC[C@@H](c5ncccc5C)N4C)nc3c2)cnc1[C@@H]1CCC[C@H](c2nc3cc(-c4cnc([C@@H]5CCC[C@H](c6nc7cccc(N8CCN(C)CC8)n7c6Cl)N5C)c(C(C)C)c4)cc(N4CCN(C(C)C)CC4)n3c2Cl)N1C.

What is the InChIKey of 3-chloro-2-[(2R,6S)-6-[5-[3-chloro-5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[6-[(2S,6R)-6-[3-chloro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-propan-2-yl-3-pyridinyl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine?

The InChIKey is RNBKNWNAJBCOEC-BCROFMHQSA-N. The full InChI is InChI=1S/C78H99Cl3N18/c1-48(2)57-41-55(47-84-72(57)60-19-13-22-61(91(60)10)73-76(79)97-64(85-73)23-14-24-67(97)94-30-28-88(7)29-31-94)53-43-66-87-75(78(81)99(66)69(45-53)95-36-32-92(33-37-95)49(3)4)63-21-12-18-59(90(63)9)71-51(6)40-54(46-83-71)52-42-65-86-74(62-20-11-17-58(89(62)8)70-50(5)16-15-27-82-70)77(80)98(65)68(44-52)96-38-34-93(35-39-96)56-25-26-56/h14-16,23-24,27,40-49,56,58-63H,11-13,17-22,25-26,28-39H2,1-10H3/t58-,59-,60-,61+,62+,63+/m0/s1.

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

3-chloro-2-[(2R,6S)-6-[5-[3-chloro-5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[6-[(2S,6R)-6-[3-chloro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-propan-2-yl-3-pyridinyl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 1395.13 g/mol, XLogP of 15.11, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-2-[(2R,6S)-6-[5-[3-chloro-5-(4-cyclopropylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]-1-methylpiperidin-2-yl]-7-[6-[(2S,6R)-6-[3-chloro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-1-methylpiperidin-2-yl]-5-propan-2-yl-3-pyridinyl]-5-(4-propan-2-ylpiperazin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 155373915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).