4-[3-[[4-(6-methoxypyridine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile

C26H24N6O2 — CID 129225982

IUPAC4-[3-[[4-(6-methoxypyridine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESCOc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(C#N)cc4)nc4ccccn34)CC2)n1
InChIInChI=1S/C26H24N6O2/c1-34-24-7-4-5-21(28-24)26(33)31-15-13-30(14-16-31)18-22-25(20-10-8-19(17-27)9-11-20)29-23-6-2-3-12-32(22)23/h2-12H,13-16,18H2,1H3
InChIKeyNBMJDJPRUAEQMG-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.23
Rot. Bonds5

About 4-[3-[[4-(6-methoxypyridine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile

4-[3-[[4-(6-methoxypyridine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile (PubChem CID 129225982) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 4-[3-[[4-(6-methoxypyridine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[[4-(6-methoxypyridine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
PubChem CID129225982
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name4-[3-[[4-(6-methoxypyridine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESCOc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(C#N)cc4)nc4ccccn34)CC2)n1
InChIInChI=1S/C26H24N6O2/c1-34-24-7-4-5-21(28-24)26(33)31-15-13-30(14-16-31)18-22-25(20-10-8-19(17-27)9-11-20)29-23-6-2-3-12-32(22)23/h2-12H,13-16,18H2,1H3
InChIKeyNBMJDJPRUAEQMG-UHFFFAOYSA-N
XLogP3.23
TPSA86.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-(6-methoxypyridine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The IUPAC name of 4-[3-[[4-(6-methoxypyridine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile (CID 129225982) is 4-[3-[[4-(6-methoxypyridine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 4-[3-[[4-(6-methoxypyridine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The canonical SMILES for 4-[3-[[4-(6-methoxypyridine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile is COc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(C#N)cc4)nc4ccccn34)CC2)n1.
What is the InChIKey of 4-[3-[[4-(6-methoxypyridine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The InChIKey is NBMJDJPRUAEQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-34-24-7-4-5-21(28-24)26(33)31-15-13-30(14-16-31)18-22-25(20-10-8-19(17-27)9-11-20)29-23-6-2-3-12-32(22)23/h2-12H,13-16,18H2,1H3.
What are the key properties of 4-[3-[[4-(6-methoxypyridine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
4-[3-[[4-(6-methoxypyridine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile has a molecular weight of 452.52 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-(6-methoxypyridine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 129225982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).