1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline

C25H32N6 — CID 46884442

IUPAC1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline
SMILESCN1CCN(c2cccc3nc(CN4CCCC5CCc6cccnc6C54)cn23)CC1
InChIInChI=1S/C25H32N6/c1-28-13-15-29(16-14-28)23-8-2-7-22-27-21(18-31(22)23)17-30-12-4-6-20-10-9-19-5-3-11-26-24(19)25(20)30/h2-3,5,7-8,11,18,20,25H,4,6,9-10,12-17H2,1H3
InChIKeyDEIGWGYLOIKCSS-UHFFFAOYSA-N
MW416.57 g/mol
LogP3.38
Rot. Bonds3

About 1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline

1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline (PubChem CID 46884442) has the molecular formula C25H32N6 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline.

Molecular Properties

Compound Name1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline
PubChem CID46884442
Molecular FormulaC25H32N6
Molecular Weight416.57 g/mol
Exact Mass416.27
IUPAC Name1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline
SMILESCN1CCN(c2cccc3nc(CN4CCCC5CCc6cccnc6C54)cn23)CC1
InChIInChI=1S/C25H32N6/c1-28-13-15-29(16-14-28)23-8-2-7-22-27-21(18-31(22)23)17-30-12-4-6-20-10-9-19-5-3-11-26-24(19)25(20)30/h2-3,5,7-8,11,18,20,25H,4,6,9-10,12-17H2,1H3
InChIKeyDEIGWGYLOIKCSS-UHFFFAOYSA-N
XLogP3.38
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline?
The IUPAC name of 1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline (CID 46884442) is 1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline.
What is the SMILES notation for 1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline?
The canonical SMILES for 1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline is CN1CCN(c2cccc3nc(CN4CCCC5CCc6cccnc6C54)cn23)CC1.
What is the InChIKey of 1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline?
The InChIKey is DEIGWGYLOIKCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6/c1-28-13-15-29(16-14-28)23-8-2-7-22-27-21(18-31(22)23)17-30-12-4-6-20-10-9-19-5-3-11-26-24(19)25(20)30/h2-3,5,7-8,11,18,20,25H,4,6,9-10,12-17H2,1H3.
What are the key properties of 1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline?
1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline has a molecular weight of 416.57 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline is sourced from PubChem (CID 46884442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).