2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-6-[3-methyl-2-[1-[[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[3-methyl-2-[1-[[5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine

C72H87ClN18 — CID 145424936

About 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-6-[3-methyl-2-[1-[[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[3-methyl-2-[1-[[5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine

2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-6-[3-methyl-2-[1-[[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[3-methyl-2-[1-[[5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 145424936) has the molecular formula C72H87ClN18 and a molecular weight of 1240.07 g/mol. Its IUPAC name is 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-6-[3-methyl-2-[1-[[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[3-methyl-2-[1-[[5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-6-[3-methyl-2-[1-[[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[3-methyl-2-[1-[[5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
• PubChem CID: 145424936
• Molecular Formula: C72H87ClN18
• Molecular Weight: 1240.07 g/mol
• Exact Mass: 1238.70
• IUPAC Name: 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-6-[3-methyl-2-[1-[[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[3-methyl-2-[1-[[5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
• SMILES: Cc1c(-c2ccc3[nH]c(CN4CCCC4c4nccc(-c5ccc6nc(CN7CCCC7c7ncccc7Cl)cn6c5N5CCN(C)CC5)c4C)nc3c2N2CCN(C)C3(CC3)C2)ccnc1C1CCCN1Cc1cn2c(N3CCN(C)C4(CC4)C3)cccc2n1
• InChI: InChI=1S/C72H87ClN18/c1-48-52(21-28-75-65(48)58-12-8-30-85(58)41-50-43-90-62(77-50)15-6-16-64(90)88-39-35-82(4)71(46-88)23-24-71)54-17-19-57-68(69(54)89-40-36-83(5)72(47-89)25-26-72)80-61(79-57)45-87-32-9-13-59(87)66-49(2)53(22-29-76-66)55-18-20-63-78-51(44-91(63)70(55)84-37-33-81(3)34-38-84)42-86-31-10-14-60(86)67-56(73)11-7-27-74-67/h6-7,11,15-22,27-29,43-44,58-60H,8-10,12-14,23-26,30-42,45-47H2,1-5H3,(H,79,80)
• InChIKey: FWDBSHIZMFKKMZ-UHFFFAOYSA-N
• XLogP: 10.98
• TPSA: 131.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1240.07
LogP ≤ 5	10.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-6-[3-methyl-2-[1-[[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[3-methyl-2-[1-[[5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?

The IUPAC name of 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-6-[3-methyl-2-[1-[[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[3-methyl-2-[1-[[5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 145424936) is 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-6-[3-methyl-2-[1-[[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[3-methyl-2-[1-[[5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine.

What is the SMILES notation for 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-6-[3-methyl-2-[1-[[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[3-methyl-2-[1-[[5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?

The canonical SMILES for 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-6-[3-methyl-2-[1-[[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[3-methyl-2-[1-[[5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine is Cc1c(-c2ccc3[nH]c(CN4CCCC4c4nccc(-c5ccc6nc(CN7CCCC7c7ncccc7Cl)cn6c5N5CCN(C)CC5)c4C)nc3c2N2CCN(C)C3(CC3)C2)ccnc1C1CCCN1Cc1cn2c(N3CCN(C)C4(CC4)C3)cccc2n1.

What is the InChIKey of 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-6-[3-methyl-2-[1-[[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[3-methyl-2-[1-[[5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?

The InChIKey is FWDBSHIZMFKKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H87ClN18/c1-48-52(21-28-75-65(48)58-12-8-30-85(58)41-50-43-90-62(77-50)15-6-16-64(90)88-39-35-82(4)71(46-88)23-24-71)54-17-19-57-68(69(54)89-40-36-83(5)72(47-89)25-26-72)80-61(79-57)45-87-32-9-13-59(87)66-49(2)53(22-29-76-66)55-18-20-63-78-51(44-91(63)70(55)84-37-33-81(3)34-38-84)42-86-31-10-14-60(86)67-56(73)11-7-27-74-67/h6-7,11,15-22,27-29,43-44,58-60H,8-10,12-14,23-26,30-42,45-47H2,1-5H3,(H,79,80).

What are the key properties of 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-6-[3-methyl-2-[1-[[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[3-methyl-2-[1-[[5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?

2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-6-[3-methyl-2-[1-[[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[3-methyl-2-[1-[[5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 1240.07 g/mol, XLogP of 10.98, 14 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(3-chloro-2-pyridinyl)pyrrolidin-1-yl]methyl]-6-[3-methyl-2-[1-[[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[3-methyl-2-[1-[[5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-1H-benzimidazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).