7-N-(2-methoxyphenyl)-2-methyl-5-N-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine

C24H27N7O — CID 134455665

About 7-N-(2-methoxyphenyl)-2-methyl-5-N-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine

7-N-(2-methoxyphenyl)-2-methyl-5-N-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455665) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 7-N-(2-methoxyphenyl)-2-methyl-5-N-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: 7-N-(2-methoxyphenyl)-2-methyl-5-N-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
• PubChem CID: 134455665
• Molecular Formula: C24H27N7O
• Molecular Weight: 429.53 g/mol
• Exact Mass: 429.23
• IUPAC Name: 7-N-(2-methoxyphenyl)-2-methyl-5-N-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
• SMILES: COc1ccccc1Nc1cc(Nc2ccc(N3CCCCC3)cn2)nc2nc(C)[nH]c12
• InChI: InChI=1S/C24H27N7O/c1-16-26-23-19(28-18-8-4-5-9-20(18)32-2)14-22(30-24(23)27-16)29-21-11-10-17(15-25-21)31-12-6-3-7-13-31/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3,(H3,25,26,27,28,29,30)
• InChIKey: XNNZBJVGQLMPHV-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 90.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.53
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-N-(2-methoxyphenyl)-2-methyl-5-N-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The IUPAC name of 7-N-(2-methoxyphenyl)-2-methyl-5-N-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134455665) is 7-N-(2-methoxyphenyl)-2-methyl-5-N-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine.

What is the SMILES notation for 7-N-(2-methoxyphenyl)-2-methyl-5-N-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The canonical SMILES for 7-N-(2-methoxyphenyl)-2-methyl-5-N-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine is COc1ccccc1Nc1cc(Nc2ccc(N3CCCCC3)cn2)nc2nc(C)[nH]c12.

What is the InChIKey of 7-N-(2-methoxyphenyl)-2-methyl-5-N-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The InChIKey is XNNZBJVGQLMPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-16-26-23-19(28-18-8-4-5-9-20(18)32-2)14-22(30-24(23)27-16)29-21-11-10-17(15-25-21)31-12-6-3-7-13-31/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3,(H3,25,26,27,28,29,30).

What are the key properties of 7-N-(2-methoxyphenyl)-2-methyl-5-N-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?

7-N-(2-methoxyphenyl)-2-methyl-5-N-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 429.53 g/mol, XLogP of 5.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-(2-methoxyphenyl)-2-methyl-5-N-(5-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).