6-(4-chloro-2-methylphenyl)-2-[5-[1-[[5-[1-methyl-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]benzimidazol-1-yl]methyl]-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]-1,3-benzoxazol-2-yl]-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one

C53H37ClN18O4 — CID 123302018

About 6-(4-chloro-2-methylphenyl)-2-[5-[1-[[5-[1-methyl-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]benzimidazol-1-yl]methyl]-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]-1,3-benzoxazol-2-yl]-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one

6-(4-chloro-2-methylphenyl)-2-[5-[1-[[5-[1-methyl-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]benzimidazol-1-yl]methyl]-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]-1,3-benzoxazol-2-yl]-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one (PubChem CID 123302018) has the molecular formula C53H37ClN18O4 and a molecular weight of 1025.45 g/mol. Its IUPAC name is 6-(4-chloro-2-methylphenyl)-2-[5-[1-[[5-[1-methyl-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]benzimidazol-1-yl]methyl]-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]-1,3-benzoxazol-2-yl]-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one.

Molecular Properties

• Compound Name: 6-(4-chloro-2-methylphenyl)-2-[5-[1-[[5-[1-methyl-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]benzimidazol-1-yl]methyl]-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]-1,3-benzoxazol-2-yl]-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one
• PubChem CID: 123302018
• Molecular Formula: C53H37ClN18O4
• Molecular Weight: 1025.45 g/mol
• Exact Mass: 1024.29
• IUPAC Name: 6-(4-chloro-2-methylphenyl)-2-[5-[1-[[5-[1-methyl-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]benzimidazol-1-yl]methyl]-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]-1,3-benzoxazol-2-yl]-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one
• SMILES: Cc1cc(Cl)ccc1-n1cc(-c2cn[nH]c2)c2nc(-c3nc4cc(-n5cc(-c6cnn(C)c6)c6c(ncn6Cn6cnc7cc(-n8cc(-c9cnn(C)c9)c9c(ncn9C)c8=O)ccc76)c5=O)ccc4o3)cnc2c1=O
• InChI: InChI=1S/C53H37ClN18O4/c1-28-11-32(54)5-8-41(28)72-21-35(29-14-59-60-15-29)44-45(51(72)73)55-18-40(63-44)50-64-39-13-34(7-10-43(39)76-50)71-23-37(31-17-62-67(4)20-31)49-47(53(71)75)58-26-69(49)27-68-25-56-38-12-33(6-9-42(38)68)70-22-36(30-16-61-66(3)19-30)48-46(52(70)74)57-24-65(48)2/h5-26H,27H2,1-4H3,(H,59,60)
• InChIKey: MGWXNIRDJRZMAF-UHFFFAOYSA-N
• XLogP: 7.14
• TPSA: 235.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1025.45
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methylphenyl)-2-[5-[1-[[5-[1-methyl-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]benzimidazol-1-yl]methyl]-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]-1,3-benzoxazol-2-yl]-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one?

The IUPAC name of 6-(4-chloro-2-methylphenyl)-2-[5-[1-[[5-[1-methyl-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]benzimidazol-1-yl]methyl]-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]-1,3-benzoxazol-2-yl]-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one (CID 123302018) is 6-(4-chloro-2-methylphenyl)-2-[5-[1-[[5-[1-methyl-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]benzimidazol-1-yl]methyl]-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]-1,3-benzoxazol-2-yl]-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one.

What is the SMILES notation for 6-(4-chloro-2-methylphenyl)-2-[5-[1-[[5-[1-methyl-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]benzimidazol-1-yl]methyl]-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]-1,3-benzoxazol-2-yl]-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one?

The canonical SMILES for 6-(4-chloro-2-methylphenyl)-2-[5-[1-[[5-[1-methyl-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]benzimidazol-1-yl]methyl]-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]-1,3-benzoxazol-2-yl]-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one is Cc1cc(Cl)ccc1-n1cc(-c2cn[nH]c2)c2nc(-c3nc4cc(-n5cc(-c6cnn(C)c6)c6c(ncn6Cn6cnc7cc(-n8cc(-c9cnn(C)c9)c9c(ncn9C)c8=O)ccc76)c5=O)ccc4o3)cnc2c1=O.

What is the InChIKey of 6-(4-chloro-2-methylphenyl)-2-[5-[1-[[5-[1-methyl-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]benzimidazol-1-yl]methyl]-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]-1,3-benzoxazol-2-yl]-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one?

The InChIKey is MGWXNIRDJRZMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37ClN18O4/c1-28-11-32(54)5-8-41(28)72-21-35(29-14-59-60-15-29)44-45(51(72)73)55-18-40(63-44)50-64-39-13-34(7-10-43(39)76-50)71-23-37(31-17-62-67(4)20-31)49-47(53(71)75)58-26-69(49)27-68-25-56-38-12-33(6-9-42(38)68)70-22-36(30-16-61-66(3)19-30)48-46(52(70)74)57-24-65(48)2/h5-26H,27H2,1-4H3,(H,59,60).

What are the key properties of 6-(4-chloro-2-methylphenyl)-2-[5-[1-[[5-[1-methyl-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]benzimidazol-1-yl]methyl]-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]-1,3-benzoxazol-2-yl]-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one?

6-(4-chloro-2-methylphenyl)-2-[5-[1-[[5-[1-methyl-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]benzimidazol-1-yl]methyl]-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]-1,3-benzoxazol-2-yl]-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one has a molecular weight of 1025.45 g/mol, XLogP of 7.14, 9 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chloro-2-methylphenyl)-2-[5-[1-[[5-[1-methyl-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]benzimidazol-1-yl]methyl]-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]-1,3-benzoxazol-2-yl]-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one is sourced from PubChem (CID 123302018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).