2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide

C26H24Cl2N6O2 — CID 57075757

IUPAC2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C26H24Cl2N6O2/c1-17-21(16-23(35)33-14-12-32(13-15-33)22-9-2-3-10-29-22)34-11-5-8-20(25(34)30-17)31-26(36)24-18(27)6-4-7-19(24)28/h2-11H,12-16H2,1H3,(H,31,36)
InChIKeyRQGBNXNXGHEMPY-UHFFFAOYSA-N
MW523.42 g/mol
LogP4.49
Rot. Bonds5

About 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide

2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide (PubChem CID 57075757) has the molecular formula C26H24Cl2N6O2 and a molecular weight of 523.42 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide
PubChem CID57075757
Molecular FormulaC26H24Cl2N6O2
Molecular Weight523.42 g/mol
Exact Mass522.13
IUPAC Name2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C26H24Cl2N6O2/c1-17-21(16-23(35)33-14-12-32(13-15-33)22-9-2-3-10-29-22)34-11-5-8-20(25(34)30-17)31-26(36)24-18(27)6-4-7-19(24)28/h2-11H,12-16H2,1H3,(H,31,36)
InChIKeyRQGBNXNXGHEMPY-UHFFFAOYSA-N
XLogP4.49
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide (CID 57075757) is 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide is Cc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1CC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide?
The InChIKey is RQGBNXNXGHEMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N6O2/c1-17-21(16-23(35)33-14-12-32(13-15-33)22-9-2-3-10-29-22)34-11-5-8-20(25(34)30-17)31-26(36)24-18(27)6-4-7-19(24)28/h2-11H,12-16H2,1H3,(H,31,36).
What are the key properties of 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide?
2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide has a molecular weight of 523.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide is sourced from PubChem (CID 57075757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).