carbanide;carbon dioxide;N-[2-(2-hydroxyethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;methane;2-(2-methyl-4-pyridinyl)-N-[2-(2-methylsulfonylethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;bis(2-(2-methyl-4-pyridinyl)-N-(7-piperidin-1-yl-2-propylimidazo[1,2-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide);tungsten

C104H125N24O13SW- — CID 167544389

IUPACcarbanide;carbon dioxide;N-[2-(2-hydroxyethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;methane;2-(2-methyl-4-pyridinyl)-N-[2-(2-methylsulfonylethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;bis(2-(2-methyl-4-pyridinyl)-N-(7-piperidin-1-yl-2-propylimidazo[1,2-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide);tungsten
SMILESC.C.C.CCCc1cn2cc(NC(=O)c3coc(-c4ccnc(C)c4)n3)c(N3CCCCC3)cc2n1.CCCc1cn2cc(NC(=O)c3coc(-c4ccnc(C)c4)n3)c(N3CCCCC3)cc2n1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCO)nc4cc3N3CCCCC3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCS(C)(=O)=O)nc4cc3N3CCCCC3)co2)ccn1.O=C=O.[CH3-].[W]
InChIInChI=1S/C25H28N6O4S.2C25H28N6O2.C24H26N6O3.CO2.3CH4.CH3.W/c1-17-12-18(6-8-26-17)25-29-21(16-35-25)24(32)28-20-15-31-14-19(7-11-36(2,33)34)27-23(31)13-22(20)30-9-4-3-5-10-30;2*1-3-7-19-14-31-15-20(22(13-23(31)27-19)30-10-5-4-6-11-30)28-24(32)21-16-33-25(29-21)18-8-9-26-17(2)12-18;1-16-11-17(5-7-25-16)24-28-20(15-33-24)23(32)27-19-14-30-13-18(6-10-31)26-22(30)12-21(19)29-8-3-2-4-9-29;2-1-3;;;;;/h6,8,12-16H,3-5,7,9-11H2,1-2H3,(H,28,32);2*8-9,12-16H,3-7,10-11H2,1-2H3,(H,28,32);5,7,11-15,31H,2-4,6,8-10H2,1H3,(H,27,32);;3*1H4;1H3;/q;;;;;;;;-1;
InChIKeyCOUVVDLNRALTOZ-UHFFFAOYSA-N
MW2135.21 g/mol
LogP18.54
Rot. Bonds25

About carbanide;carbon dioxide;N-[2-(2-hydroxyethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;methane;2-(2-methyl-4-pyridinyl)-N-[2-(2-methylsulfonylethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;bis(2-(2-methyl-4-pyridinyl)-N-(7-piperidin-1-yl-2-propylimidazo[1,2-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide);tungsten

carbanide;carbon dioxide;N-[2-(2-hydroxyethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;methane;2-(2-methyl-4-pyridinyl)-N-[2-(2-methylsulfonylethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;bis(2-(2-methyl-4-pyridinyl)-N-(7-piperidin-1-yl-2-propylimidazo[1,2-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide);tungsten (PubChem CID 167544389) has the molecular formula C104H125N24O13SW- and a molecular weight of 2135.21 g/mol. Its IUPAC name is carbanide;carbon dioxide;N-[2-(2-hydroxyethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;methane;2-(2-methyl-4-pyridinyl)-N-[2-(2-methylsulfonylethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;bis(2-(2-methyl-4-pyridinyl)-N-(7-piperidin-1-yl-2-propylimidazo[1,2-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide);tungsten.

Molecular Properties

Compound Namecarbanide;carbon dioxide;N-[2-(2-hydroxyethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;methane;2-(2-methyl-4-pyridinyl)-N-[2-(2-methylsulfonylethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;bis(2-(2-methyl-4-pyridinyl)-N-(7-piperidin-1-yl-2-propylimidazo[1,2-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide);tungsten
PubChem CID167544389
Molecular FormulaC104H125N24O13SW-
Molecular Weight2135.21 g/mol
Exact Mass2133.91
IUPAC Namecarbanide;carbon dioxide;N-[2-(2-hydroxyethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;methane;2-(2-methyl-4-pyridinyl)-N-[2-(2-methylsulfonylethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;bis(2-(2-methyl-4-pyridinyl)-N-(7-piperidin-1-yl-2-propylimidazo[1,2-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide);tungsten
SMILESC.C.C.CCCc1cn2cc(NC(=O)c3coc(-c4ccnc(C)c4)n3)c(N3CCCCC3)cc2n1.CCCc1cn2cc(NC(=O)c3coc(-c4ccnc(C)c4)n3)c(N3CCCCC3)cc2n1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCO)nc4cc3N3CCCCC3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCS(C)(=O)=O)nc4cc3N3CCCCC3)co2)ccn1.O=C=O.[CH3-].[W]
InChIInChI=1S/C25H28N6O4S.2C25H28N6O2.C24H26N6O3.CO2.3CH4.CH3.W/c1-17-12-18(6-8-26-17)25-29-21(16-35-25)24(32)28-20-15-31-14-19(7-11-36(2,33)34)27-23(31)13-22(20)30-9-4-3-5-10-30;2*1-3-7-19-14-31-15-20(22(13-23(31)27-19)30-10-5-4-6-11-30)28-24(32)21-16-33-25(29-21)18-8-9-26-17(2)12-18;1-16-11-17(5-7-25-16)24-28-20(15-33-24)23(32)27-19-14-30-13-18(6-10-31)26-22(30)12-21(19)29-8-3-2-4-9-29;2-1-3;;;;;/h6,8,12-16H,3-5,7,9-11H2,1-2H3,(H,28,32);2*8-9,12-16H,3-7,10-11H2,1-2H3,(H,28,32);5,7,11-15,31H,2-4,6,8-10H2,1H3,(H,27,32);;3*1H4;1H3;/q;;;;;;;;-1;
InChIKeyCOUVVDLNRALTOZ-UHFFFAOYSA-N
XLogP18.54
TPSA442.75 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds25
Heavy Atoms143
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002135.21
LogP ≤ 518.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;carbon dioxide;N-[2-(2-hydroxyethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;methane;2-(2-methyl-4-pyridinyl)-N-[2-(2-methylsulfonylethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;bis(2-(2-methyl-4-pyridinyl)-N-(7-piperidin-1-yl-2-propylimidazo[1,2-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide);tungsten with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;carbon dioxide;N-[2-(2-hydroxyethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;methane;2-(2-methyl-4-pyridinyl)-N-[2-(2-methylsulfonylethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;bis(2-(2-methyl-4-pyridinyl)-N-(7-piperidin-1-yl-2-propylimidazo[1,2-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide);tungsten?
The IUPAC name of carbanide;carbon dioxide;N-[2-(2-hydroxyethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;methane;2-(2-methyl-4-pyridinyl)-N-[2-(2-methylsulfonylethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;bis(2-(2-methyl-4-pyridinyl)-N-(7-piperidin-1-yl-2-propylimidazo[1,2-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide);tungsten (CID 167544389) is carbanide;carbon dioxide;N-[2-(2-hydroxyethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;methane;2-(2-methyl-4-pyridinyl)-N-[2-(2-methylsulfonylethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;bis(2-(2-methyl-4-pyridinyl)-N-(7-piperidin-1-yl-2-propylimidazo[1,2-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide);tungsten.
What is the SMILES notation for carbanide;carbon dioxide;N-[2-(2-hydroxyethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;methane;2-(2-methyl-4-pyridinyl)-N-[2-(2-methylsulfonylethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;bis(2-(2-methyl-4-pyridinyl)-N-(7-piperidin-1-yl-2-propylimidazo[1,2-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide);tungsten?
The canonical SMILES for carbanide;carbon dioxide;N-[2-(2-hydroxyethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;methane;2-(2-methyl-4-pyridinyl)-N-[2-(2-methylsulfonylethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;bis(2-(2-methyl-4-pyridinyl)-N-(7-piperidin-1-yl-2-propylimidazo[1,2-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide);tungsten is C.C.C.CCCc1cn2cc(NC(=O)c3coc(-c4ccnc(C)c4)n3)c(N3CCCCC3)cc2n1.CCCc1cn2cc(NC(=O)c3coc(-c4ccnc(C)c4)n3)c(N3CCCCC3)cc2n1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCO)nc4cc3N3CCCCC3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCS(C)(=O)=O)nc4cc3N3CCCCC3)co2)ccn1.O=C=O.[CH3-].[W].
What is the InChIKey of carbanide;carbon dioxide;N-[2-(2-hydroxyethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;methane;2-(2-methyl-4-pyridinyl)-N-[2-(2-methylsulfonylethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;bis(2-(2-methyl-4-pyridinyl)-N-(7-piperidin-1-yl-2-propylimidazo[1,2-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide);tungsten?
The InChIKey is COUVVDLNRALTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4S.2C25H28N6O2.C24H26N6O3.CO2.3CH4.CH3.W/c1-17-12-18(6-8-26-17)25-29-21(16-35-25)24(32)28-20-15-31-14-19(7-11-36(2,33)34)27-23(31)13-22(20)30-9-4-3-5-10-30;2*1-3-7-19-14-31-15-20(22(13-23(31)27-19)30-10-5-4-6-11-30)28-24(32)21-16-33-25(29-21)18-8-9-26-17(2)12-18;1-16-11-17(5-7-25-16)24-28-20(15-33-24)23(32)27-19-14-30-13-18(6-10-31)26-22(30)12-21(19)29-8-3-2-4-9-29;2-1-3;;;;;/h6,8,12-16H,3-5,7,9-11H2,1-2H3,(H,28,32);2*8-9,12-16H,3-7,10-11H2,1-2H3,(H,28,32);5,7,11-15,31H,2-4,6,8-10H2,1H3,(H,27,32);;3*1H4;1H3;/q;;;;;;;;-1;.
What are the key properties of carbanide;carbon dioxide;N-[2-(2-hydroxyethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;methane;2-(2-methyl-4-pyridinyl)-N-[2-(2-methylsulfonylethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;bis(2-(2-methyl-4-pyridinyl)-N-(7-piperidin-1-yl-2-propylimidazo[1,2-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide);tungsten?
carbanide;carbon dioxide;N-[2-(2-hydroxyethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;methane;2-(2-methyl-4-pyridinyl)-N-[2-(2-methylsulfonylethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;bis(2-(2-methyl-4-pyridinyl)-N-(7-piperidin-1-yl-2-propylimidazo[1,2-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide);tungsten has a molecular weight of 2135.21 g/mol, XLogP of 18.54, 25 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;carbon dioxide;N-[2-(2-hydroxyethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;methane;2-(2-methyl-4-pyridinyl)-N-[2-(2-methylsulfonylethyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;bis(2-(2-methyl-4-pyridinyl)-N-(7-piperidin-1-yl-2-propylimidazo[1,2-a]pyridin-6-yl)-1,3-oxazole-4-carboxamide);tungsten is sourced from PubChem (CID 167544389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).