3-[8-acetamido-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylbenzamide

C29H32N6O2 — CID 46944006

IUPAC3-[8-acetamido-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylbenzamide
SMILESCC(=O)Nc1cc(-c2ccc(N3CCN(C)CC3)cc2)cn2c(-c3cccc(C(=O)N(C)C)c3)cnc12
InChIInChI=1S/C29H32N6O2/c1-20(36)31-26-17-24(21-8-10-25(11-9-21)34-14-12-33(4)13-15-34)19-35-27(18-30-28(26)35)22-6-5-7-23(16-22)29(37)32(2)3/h5-11,16-19H,12-15H2,1-4H3,(H,31,36)
InChIKeyJBNMIMQFGFOWEL-UHFFFAOYSA-N
MW496.62 g/mol
LogP4.08
Rot. Bonds5

About 3-[8-acetamido-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylbenzamide

3-[8-acetamido-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylbenzamide (PubChem CID 46944006) has the molecular formula C29H32N6O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is 3-[8-acetamido-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[8-acetamido-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylbenzamide
PubChem CID46944006
Molecular FormulaC29H32N6O2
Molecular Weight496.62 g/mol
Exact Mass496.26
IUPAC Name3-[8-acetamido-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylbenzamide
SMILESCC(=O)Nc1cc(-c2ccc(N3CCN(C)CC3)cc2)cn2c(-c3cccc(C(=O)N(C)C)c3)cnc12
InChIInChI=1S/C29H32N6O2/c1-20(36)31-26-17-24(21-8-10-25(11-9-21)34-14-12-33(4)13-15-34)19-35-27(18-30-28(26)35)22-6-5-7-23(16-22)29(37)32(2)3/h5-11,16-19H,12-15H2,1-4H3,(H,31,36)
InChIKeyJBNMIMQFGFOWEL-UHFFFAOYSA-N
XLogP4.08
TPSA73.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[8-acetamido-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[8-acetamido-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylbenzamide (CID 46944006) is 3-[8-acetamido-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[8-acetamido-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[8-acetamido-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylbenzamide is CC(=O)Nc1cc(-c2ccc(N3CCN(C)CC3)cc2)cn2c(-c3cccc(C(=O)N(C)C)c3)cnc12.
What is the InChIKey of 3-[8-acetamido-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylbenzamide?
The InChIKey is JBNMIMQFGFOWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2/c1-20(36)31-26-17-24(21-8-10-25(11-9-21)34-14-12-33(4)13-15-34)19-35-27(18-30-28(26)35)22-6-5-7-23(16-22)29(37)32(2)3/h5-11,16-19H,12-15H2,1-4H3,(H,31,36).
What are the key properties of 3-[8-acetamido-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylbenzamide?
3-[8-acetamido-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylbenzamide has a molecular weight of 496.62 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-acetamido-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 46944006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).