6-[(2R)-4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-methylpiperazin-1-yl]pyrimidine-4-carbonitrile

C34H30N10 — CID 171494797

About 6-[(2R)-4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-methylpiperazin-1-yl]pyrimidine-4-carbonitrile

6-[(2R)-4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-methylpiperazin-1-yl]pyrimidine-4-carbonitrile (PubChem CID 171494797) has the molecular formula C34H30N10 and a molecular weight of 578.68 g/mol. Its IUPAC name is 6-[(2R)-4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-methylpiperazin-1-yl]pyrimidine-4-carbonitrile.

Molecular Properties

• Compound Name: 6-[(2R)-4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-methylpiperazin-1-yl]pyrimidine-4-carbonitrile
• PubChem CID: 171494797
• Molecular Formula: C34H30N10
• Molecular Weight: 578.68 g/mol
• Exact Mass: 578.27
• IUPAC Name: 6-[(2R)-4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-methylpiperazin-1-yl]pyrimidine-4-carbonitrile
• SMILES: C[C@@H]1CN(Cc2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCN1c1cc(C#N)ncn1
• InChI: InChI=1S/C34H30N10/c1-23-20-42(16-17-43(23)31-18-26(19-35)38-22-39-31)21-24-9-11-27(12-10-24)44-33(28-8-5-15-37-32(28)36)41-30-14-13-29(40-34(30)44)25-6-3-2-4-7-25/h2-15,18,22-23H,16-17,20-21H2,1H3,(H2,36,37)/t23-/m1/s1
• InChIKey: OZISNKSDSHRRKQ-HSZRJFAPSA-N
• XLogP: 5.10
• TPSA: 125.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.68
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-methylpiperazin-1-yl]pyrimidine-4-carbonitrile?

The IUPAC name of 6-[(2R)-4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-methylpiperazin-1-yl]pyrimidine-4-carbonitrile (CID 171494797) is 6-[(2R)-4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-methylpiperazin-1-yl]pyrimidine-4-carbonitrile.

What is the SMILES notation for 6-[(2R)-4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-methylpiperazin-1-yl]pyrimidine-4-carbonitrile?

The canonical SMILES for 6-[(2R)-4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-methylpiperazin-1-yl]pyrimidine-4-carbonitrile is C[C@@H]1CN(Cc2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCN1c1cc(C#N)ncn1.

What is the InChIKey of 6-[(2R)-4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-methylpiperazin-1-yl]pyrimidine-4-carbonitrile?

The InChIKey is OZISNKSDSHRRKQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C34H30N10/c1-23-20-42(16-17-43(23)31-18-26(19-35)38-22-39-31)21-24-9-11-27(12-10-24)44-33(28-8-5-15-37-32(28)36)41-30-14-13-29(40-34(30)44)25-6-3-2-4-7-25/h2-15,18,22-23H,16-17,20-21H2,1H3,(H2,36,37)/t23-/m1/s1.

What are the key properties of 6-[(2R)-4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-methylpiperazin-1-yl]pyrimidine-4-carbonitrile?

6-[(2R)-4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-methylpiperazin-1-yl]pyrimidine-4-carbonitrile has a molecular weight of 578.68 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-methylpiperazin-1-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 171494797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).