ethane;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;sulfane

C25H36N6OS — CID 145424514

IUPACethane;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;sulfane
SMILESCC.Cc1cccnc1C1CC(=O)CC(c2cn3c(N4CCN(C)CC4)cccc3n2)N1.S
InChIInChI=1S/C23H28N6O.C2H6.H2S/c1-16-5-4-8-24-23(16)19-14-17(30)13-18(25-19)20-15-29-21(26-20)6-3-7-22(29)28-11-9-27(2)10-12-28;1-2;/h3-8,15,18-19,25H,9-14H2,1-2H3;1-2H3;1H2
InChIKeyPHONYGJJHPFTLX-UHFFFAOYSA-N
MW468.67 g/mol
LogP3.66
Rot. Bonds3

About ethane;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;sulfane

ethane;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;sulfane (PubChem CID 145424514) has the molecular formula C25H36N6OS and a molecular weight of 468.67 g/mol. Its IUPAC name is ethane;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;sulfane.

Molecular Properties

Compound Nameethane;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;sulfane
PubChem CID145424514
Molecular FormulaC25H36N6OS
Molecular Weight468.67 g/mol
Exact Mass468.27
IUPAC Nameethane;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;sulfane
SMILESCC.Cc1cccnc1C1CC(=O)CC(c2cn3c(N4CCN(C)CC4)cccc3n2)N1.S
InChIInChI=1S/C23H28N6O.C2H6.H2S/c1-16-5-4-8-24-23(16)19-14-17(30)13-18(25-19)20-15-29-21(26-20)6-3-7-22(29)28-11-9-27(2)10-12-28;1-2;/h3-8,15,18-19,25H,9-14H2,1-2H3;1-2H3;1H2
InChIKeyPHONYGJJHPFTLX-UHFFFAOYSA-N
XLogP3.66
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.67
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Zolpidem
CID 5732
2-Phenyl-3-[2-((S)-1-phenyl-ethylamino)-pyrimidin-4-yl]-imidazo[1,2-a]pyrimidin-7-ylamine
CID 9953203
(2S)-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylpropanamide
CID 44431995
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}propionamide
CID 44444862
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}butyramide
CID 44444864
Cyclobutanecarboxylic acid {4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amide
CID 44444865
Pentanoic acid {4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amide
CID 44444866
Cyclopentanecarboxylic acid{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amide
CID 44444867
2-Phenyl-3-[2-((S)-1-phenyl-ethylamino)-pyridin-4-yl]-imidazo[1,2-a]pyrimidin-7-ylamine
CID 44344386
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 168277891
N,N-dibutyl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 10361367
2-(6-Methyl-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-acetamide
CID 10498000

Frequently Asked Questions

What is the IUPAC name of ethane;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;sulfane?
The IUPAC name of ethane;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;sulfane (CID 145424514) is ethane;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;sulfane.
What is the SMILES notation for ethane;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;sulfane?
The canonical SMILES for ethane;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;sulfane is CC.Cc1cccnc1C1CC(=O)CC(c2cn3c(N4CCN(C)CC4)cccc3n2)N1.S.
What is the InChIKey of ethane;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;sulfane?
The InChIKey is PHONYGJJHPFTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O.C2H6.H2S/c1-16-5-4-8-24-23(16)19-14-17(30)13-18(25-19)20-15-29-21(26-20)6-3-7-22(29)28-11-9-27(2)10-12-28;1-2;/h3-8,15,18-19,25H,9-14H2,1-2H3;1-2H3;1H2.
What are the key properties of ethane;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;sulfane?
ethane;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;sulfane has a molecular weight of 468.67 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;sulfane is sourced from PubChem (CID 145424514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).