(2S)-1,2-dimethyl-3-[2-methyl-4-[3-[(2S)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine

C34H33N7 — CID 166990796

About (2S)-1,2-dimethyl-3-[2-methyl-4-[3-[(2S)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine

(2S)-1,2-dimethyl-3-[2-methyl-4-[3-[(2S)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine (PubChem CID 166990796) has the molecular formula C34H33N7 and a molecular weight of 539.69 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-3-[2-methyl-4-[3-[(2S)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

• Compound Name: (2S)-1,2-dimethyl-3-[2-methyl-4-[3-[(2S)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine
• PubChem CID: 166990796
• Molecular Formula: C34H33N7
• Molecular Weight: 539.69 g/mol
• Exact Mass: 539.28
• IUPAC Name: (2S)-1,2-dimethyl-3-[2-methyl-4-[3-[(2S)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine
• SMILES: Cc1ccccc1N1c2ncccc2N(c2cccc(-c3ccc(N4c5nccnc5N(C)[C@@H]4C)c(C)c3)c2)[C@@H]1C
• InChI: InChI=1S/C34H33N7/c1-22-10-6-7-13-29(22)41-25(4)39(31-14-9-17-35-32(31)41)28-12-8-11-26(21-28)27-15-16-30(23(2)20-27)40-24(3)38(5)33-34(40)37-19-18-36-33/h6-21,24-25H,1-5H3/t24-,25-/m0/s1
• InChIKey: JJDMIWCOSIIQKC-DQEYMECFSA-N
• XLogP: 7.73
• TPSA: 51.63 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.69
LogP ≤ 5	7.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-3-[2-methyl-4-[3-[(2S)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine?

The IUPAC name of (2S)-1,2-dimethyl-3-[2-methyl-4-[3-[(2S)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine (CID 166990796) is (2S)-1,2-dimethyl-3-[2-methyl-4-[3-[(2S)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine.

What is the SMILES notation for (2S)-1,2-dimethyl-3-[2-methyl-4-[3-[(2S)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine?

The canonical SMILES for (2S)-1,2-dimethyl-3-[2-methyl-4-[3-[(2S)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine is Cc1ccccc1N1c2ncccc2N(c2cccc(-c3ccc(N4c5nccnc5N(C)[C@@H]4C)c(C)c3)c2)[C@@H]1C.

What is the InChIKey of (2S)-1,2-dimethyl-3-[2-methyl-4-[3-[(2S)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine?

The InChIKey is JJDMIWCOSIIQKC-DQEYMECFSA-N. The full InChI is InChI=1S/C34H33N7/c1-22-10-6-7-13-29(22)41-25(4)39(31-14-9-17-35-32(31)41)28-12-8-11-26(21-28)27-15-16-30(23(2)20-27)40-24(3)38(5)33-34(40)37-19-18-36-33/h6-21,24-25H,1-5H3/t24-,25-/m0/s1.

What are the key properties of (2S)-1,2-dimethyl-3-[2-methyl-4-[3-[(2S)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine?

(2S)-1,2-dimethyl-3-[2-methyl-4-[3-[(2S)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine has a molecular weight of 539.69 g/mol, XLogP of 7.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1,2-dimethyl-3-[2-methyl-4-[3-[(2S)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenyl]phenyl]-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 166990796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).