ethane;5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine;propane

C23H35N7O — CID 142892190

IUPACethane;5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine;propane
SMILESCC.CCC.COc1cnc(Cn2ccnc2-c2ncccn2)c(N2CCCCC2)n1
InChIInChI=1S/C18H21N7O.C3H8.C2H6/c1-26-15-12-22-14(17(23-15)24-9-3-2-4-10-24)13-25-11-8-21-18(25)16-19-6-5-7-20-16;1-3-2;1-2/h5-8,11-12H,2-4,9-10,13H2,1H3;3H2,1-2H3;1-2H3
InChIKeyZDLOXFUPKCOOCE-UHFFFAOYSA-N
MW425.58 g/mol
LogP4.62
Rot. Bonds5

About ethane;5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine;propane

ethane;5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine;propane (PubChem CID 142892190) has the molecular formula C23H35N7O and a molecular weight of 425.58 g/mol. Its IUPAC name is ethane;5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine;propane.

Molecular Properties

Compound Nameethane;5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine;propane
PubChem CID142892190
Molecular FormulaC23H35N7O
Molecular Weight425.58 g/mol
Exact Mass425.29
IUPAC Nameethane;5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine;propane
SMILESCC.CCC.COc1cnc(Cn2ccnc2-c2ncccn2)c(N2CCCCC2)n1
InChIInChI=1S/C18H21N7O.C3H8.C2H6/c1-26-15-12-22-14(17(23-15)24-9-3-2-4-10-24)13-25-11-8-21-18(25)16-19-6-5-7-20-16;1-3-2;1-2/h5-8,11-12H,2-4,9-10,13H2,1H3;3H2,1-2H3;1-2H3
InChIKeyZDLOXFUPKCOOCE-UHFFFAOYSA-N
XLogP4.62
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-methoxy-3-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine
CID 22260396
3-ethyl-6-(2-methoxyphenyl)-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine
CID 57456761
6-chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-a]pyridine
CID 57456757
4-[1-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)imidazol-2-yl]-2-methoxypyridine
CID 146044872
[6-propyl-5-[(2-pyridin-2-ylimidazol-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 58748667
1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole
CID 22379969
2-[3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole
CID 57456766
4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
3-methyl-8-piperidin-1-ylimidazo[1,2-a]pyrazine
CID 11321891
3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine-4-carbonitrile
CID 22380177
1-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]-5-(trifluoromethoxy)benzimidazole
CID 20811938
2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine
CID 154772463

Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine;propane?
The IUPAC name of ethane;5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine;propane (CID 142892190) is ethane;5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine;propane.
What is the SMILES notation for ethane;5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine;propane?
The canonical SMILES for ethane;5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine;propane is CC.CCC.COc1cnc(Cn2ccnc2-c2ncccn2)c(N2CCCCC2)n1.
What is the InChIKey of ethane;5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine;propane?
The InChIKey is ZDLOXFUPKCOOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O.C3H8.C2H6/c1-26-15-12-22-14(17(23-15)24-9-3-2-4-10-24)13-25-11-8-21-18(25)16-19-6-5-7-20-16;1-3-2;1-2/h5-8,11-12H,2-4,9-10,13H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine;propane?
ethane;5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine;propane has a molecular weight of 425.58 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine;propane is sourced from PubChem (CID 142892190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).