[8-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-(4-methylpiperazin-1-yl)methanone

C25H33N5O — CID 69374512

IUPAC[8-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCc1cccc(C)c1CNc1c(C(=O)N2CCN(C)CC2)ccn2c(C)c(C)nc12
InChIInChI=1S/C25H33N5O/c1-6-20-9-7-8-17(2)22(20)16-26-23-21(25(31)29-14-12-28(5)13-15-29)10-11-30-19(4)18(3)27-24(23)30/h7-11,26H,6,12-16H2,1-5H3
InChIKeyYBQYVQJKAODXFO-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.82
Rot. Bonds5

About [8-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-(4-methylpiperazin-1-yl)methanone

[8-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 69374512) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is [8-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[8-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID69374512
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC Name[8-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCc1cccc(C)c1CNc1c(C(=O)N2CCN(C)CC2)ccn2c(C)c(C)nc12
InChIInChI=1S/C25H33N5O/c1-6-20-9-7-8-17(2)22(20)16-26-23-21(25(31)29-14-12-28(5)13-15-29)10-11-30-19(4)18(3)27-24(23)30/h7-11,26H,6,12-16H2,1-5H3
InChIKeyYBQYVQJKAODXFO-UHFFFAOYSA-N
XLogP3.82
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [8-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-(4-methylpiperazin-1-yl)methanone (CID 69374512) is [8-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [8-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [8-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-(4-methylpiperazin-1-yl)methanone is CCc1cccc(C)c1CNc1c(C(=O)N2CCN(C)CC2)ccn2c(C)c(C)nc12.
What is the InChIKey of [8-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YBQYVQJKAODXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O/c1-6-20-9-7-8-17(2)22(20)16-26-23-21(25(31)29-14-12-28(5)13-15-29)10-11-30-19(4)18(3)27-24(23)30/h7-11,26H,6,12-16H2,1-5H3.
What are the key properties of [8-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-(4-methylpiperazin-1-yl)methanone?
[8-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 419.57 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 69374512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).