2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine

C24H24N8O — CID 5487490

IUPAC2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2nc3nc(-c4nc5nc(N6CCN(C)CC6)ccc5[nH]4)ccc3[nH]2)cc1
InChIInChI=1S/C24H24N8O/c1-31-11-13-32(14-12-31)20-10-9-19-24(28-20)30-23(27-19)18-8-7-17-22(26-18)29-21(25-17)15-3-5-16(33-2)6-4-15/h3-10H,11-14H2,1-2H3,(H,25,26,29)(H,27,28,30)
InChIKeyKHSJTRHHYVRJBO-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.32
Rot. Bonds4

About 2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine

2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 5487490) has the molecular formula C24H24N8O and a molecular weight of 440.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID5487490
Molecular FormulaC24H24N8O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC Name2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2nc3nc(-c4nc5nc(N6CCN(C)CC6)ccc5[nH]4)ccc3[nH]2)cc1
InChIInChI=1S/C24H24N8O/c1-31-11-13-32(14-12-31)20-10-9-19-24(28-20)30-23(27-19)18-8-7-17-22(26-18)29-21(25-17)15-3-5-16(33-2)6-4-15/h3-10H,11-14H2,1-2H3,(H,25,26,29)(H,27,28,30)
InChIKeyKHSJTRHHYVRJBO-UHFFFAOYSA-N
XLogP3.32
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine (CID 5487490) is 2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine is COc1ccc(-c2nc3nc(-c4nc5nc(N6CCN(C)CC6)ccc5[nH]4)ccc3[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is KHSJTRHHYVRJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O/c1-31-11-13-32(14-12-31)20-10-9-19-24(28-20)30-23(27-19)18-8-7-17-22(26-18)29-21(25-17)15-3-5-16(33-2)6-4-15/h3-10H,11-14H2,1-2H3,(H,25,26,29)(H,27,28,30).
What are the key properties of 2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine?
2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 440.51 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 5487490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).