ethane;bis(1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine);3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine;1-methyl-5-propan-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;6-propan-2-yl-5,7-dihydro-4H-furo[2,3-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-propan-2-yl-1,3,4,7-tetrahydrocyclopenta[c]pyridine;bis(5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;icosakis(yttrium)

C263H523N44O5S5Y20+ — CID 159497212

IUPACethane;bis(1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine);3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine;1-methyl-5-propan-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;6-propan-2-yl-5,7-dihydro-4H-furo[2,3-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-propan-2-yl-1,3,4,7-tetrahydrocyclopenta[c]pyridine;bis(5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;icosakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCC2=C(CC=C2)C1.CC(C)N1CCC2=C(CC=N2)C1.CC(C)N1CCc2[nH]ncc2C1.CC(C)N1CCc2c(c[nH][n+]2C)C1.CC(C)N1CCc2c(ncn2C)C1.CC(C)N1CCc2c(ncn2C)C1.CC(C)N1CCc2ccn(C)c2C1.CC(C)N1CCc2ccoc2C1.CC(C)N1CCc2ccsc2C1.CC(C)N1CCc2nc[nH]c2C1.CC(C)N1CCc2nc[nH]c2C1.CC(C)N1CCc2ncn(C)c2C1.CC(C)N1CCc2ncoc2C1.CC(C)N1CCc2ncsc2C1.CC(C)N1CCc2ocnc2C1.CC(C)N1CCc2ocnc2C1.CC(C)N1CCc2oncc2C1.CC(C)N1CCc2scnc2C1.CC(C)N1CCc2scnc2C1.CC(C)N1CCc2sncc2C1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C11H18N2.C11H17N.4C10H17N3.C10H16N2.C10H15NO.C10H15NS.3C9H15N3.4C9H14N2O.4C9H14N2S.36C2H6.20Y/c1-9(2)13-7-5-10-4-6-12(3)11(10)8-13;1-9(2)12-7-6-10-4-3-5-11(10)8-12;2*1-8(2)13-5-4-10-9(6-13)11-7-12(10)3;1-8(2)13-5-4-10-9(7-13)6-11-12(10)3;1-8(2)13-5-4-9-10(6-13)12(3)7-11-9;1-8(2)12-6-4-10-9(7-12)3-5-11-10;2*1-8(2)11-5-3-9-4-6-12-10(9)7-11;1-7(2)12-4-3-9-8(6-12)5-10-11-9;2*1-7(2)12-4-3-8-9(5-12)11-6-10-8;2*1-7(2)11-4-3-9-8(5-11)10-6-12-9;1-7(2)11-4-3-9-8(6-11)5-10-12-9;1-7(2)11-4-3-8-9(5-11)12-6-10-8;2*1-7(2)11-4-3-9-8(5-11)10-6-12-9;1-7(2)11-4-3-9-8(6-11)5-10-12-9;1-7(2)11-4-3-8-9(5-11)12-6-10-8;36*1-2;;;;;;;;;;;;;;;;;;;;/h4,6,9H,5,7-8H2,1-3H3;3-4,9H,5-8H2,1-2H3;2*7-8H,4-6H2,1-3H3;6,8H,4-5,7H2,1-3H3;7-8H,4-6H2,1-3H3;5,8H,3-4,6-7H2,1-2H3;2*4,6,8H,3,5,7H2,1-2H3;5,7H,3-4,6H2,1-2H3,(H,10,11);2*6-7H,3-5H2,1-2H3,(H,10,11);2*6-7H,3-5H2,1-2H3;5,7H,3-4,6H2,1-2H3;3*6-7H,3-5H2,1-2H3;5,7H,3-4,6H2,1-2H3;6-7H,3-5H2,1-2H3;36*1-2H3;;;;;;;;;;;;;;;;;;;;/p+1
InChIKeyATAZRZQIUWWGFQ-UHFFFAOYSA-O
MW6320.84 g/mol
LogP68.53
Rot. Bonds20

About ethane;bis(1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine);3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine;1-methyl-5-propan-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;6-propan-2-yl-5,7-dihydro-4H-furo[2,3-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-propan-2-yl-1,3,4,7-tetrahydrocyclopenta[c]pyridine;bis(5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;icosakis(yttrium)

ethane;bis(1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine);3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine;1-methyl-5-propan-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;6-propan-2-yl-5,7-dihydro-4H-furo[2,3-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-propan-2-yl-1,3,4,7-tetrahydrocyclopenta[c]pyridine;bis(5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;icosakis(yttrium) (PubChem CID 159497212) has the molecular formula C263H523N44O5S5Y20+ and a molecular weight of 6320.84 g/mol. Its IUPAC name is ethane;bis(1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine);3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine;1-methyl-5-propan-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;6-propan-2-yl-5,7-dihydro-4H-furo[2,3-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-propan-2-yl-1,3,4,7-tetrahydrocyclopenta[c]pyridine;bis(5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;icosakis(yttrium).

Molecular Properties

Compound Nameethane;bis(1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine);3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine;1-methyl-5-propan-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;6-propan-2-yl-5,7-dihydro-4H-furo[2,3-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-propan-2-yl-1,3,4,7-tetrahydrocyclopenta[c]pyridine;bis(5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;icosakis(yttrium)
PubChem CID159497212
Molecular FormulaC263H523N44O5S5Y20+
Molecular Weight6320.84 g/mol
Exact Mass6317.18
IUPAC Nameethane;bis(1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine);3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine;1-methyl-5-propan-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;6-propan-2-yl-5,7-dihydro-4H-furo[2,3-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-propan-2-yl-1,3,4,7-tetrahydrocyclopenta[c]pyridine;bis(5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;icosakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCC2=C(CC=C2)C1.CC(C)N1CCC2=C(CC=N2)C1.CC(C)N1CCc2[nH]ncc2C1.CC(C)N1CCc2c(c[nH][n+]2C)C1.CC(C)N1CCc2c(ncn2C)C1.CC(C)N1CCc2c(ncn2C)C1.CC(C)N1CCc2ccn(C)c2C1.CC(C)N1CCc2ccoc2C1.CC(C)N1CCc2ccsc2C1.CC(C)N1CCc2nc[nH]c2C1.CC(C)N1CCc2nc[nH]c2C1.CC(C)N1CCc2ncn(C)c2C1.CC(C)N1CCc2ncoc2C1.CC(C)N1CCc2ncsc2C1.CC(C)N1CCc2ocnc2C1.CC(C)N1CCc2ocnc2C1.CC(C)N1CCc2oncc2C1.CC(C)N1CCc2scnc2C1.CC(C)N1CCc2scnc2C1.CC(C)N1CCc2sncc2C1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C11H18N2.C11H17N.4C10H17N3.C10H16N2.C10H15NO.C10H15NS.3C9H15N3.4C9H14N2O.4C9H14N2S.36C2H6.20Y/c1-9(2)13-7-5-10-4-6-12(3)11(10)8-13;1-9(2)12-7-6-10-4-3-5-11(10)8-12;2*1-8(2)13-5-4-10-9(6-13)11-7-12(10)3;1-8(2)13-5-4-10-9(7-13)6-11-12(10)3;1-8(2)13-5-4-9-10(6-13)12(3)7-11-9;1-8(2)12-6-4-10-9(7-12)3-5-11-10;2*1-8(2)11-5-3-9-4-6-12-10(9)7-11;1-7(2)12-4-3-9-8(6-12)5-10-11-9;2*1-7(2)12-4-3-8-9(5-12)11-6-10-8;2*1-7(2)11-4-3-9-8(5-11)10-6-12-9;1-7(2)11-4-3-9-8(6-11)5-10-12-9;1-7(2)11-4-3-8-9(5-11)12-6-10-8;2*1-7(2)11-4-3-9-8(5-11)10-6-12-9;1-7(2)11-4-3-9-8(6-11)5-10-12-9;1-7(2)11-4-3-8-9(5-11)12-6-10-8;36*1-2;;;;;;;;;;;;;;;;;;;;/h4,6,9H,5,7-8H2,1-3H3;3-4,9H,5-8H2,1-2H3;2*7-8H,4-6H2,1-3H3;6,8H,4-5,7H2,1-3H3;7-8H,4-6H2,1-3H3;5,8H,3-4,6-7H2,1-2H3;2*4,6,8H,3,5,7H2,1-2H3;5,7H,3-4,6H2,1-2H3,(H,10,11);2*6-7H,3-5H2,1-2H3,(H,10,11);2*6-7H,3-5H2,1-2H3;5,7H,3-4,6H2,1-2H3;3*6-7H,3-5H2,1-2H3;5,7H,3-4,6H2,1-2H3;6-7H,3-5H2,1-2H3;36*1-2H3;;;;;;;;;;;;;;;;;;;;/p+1
InChIKeyATAZRZQIUWWGFQ-UHFFFAOYSA-O
XLogP68.53
TPSA410.08 Ų
H-Bond Donors4
H-Bond Acceptors49
Rotatable Bonds20
Heavy Atoms337
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006320.84
LogP ≤ 568.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1049

Analyze ethane;bis(1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine);3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine;1-methyl-5-propan-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;6-propan-2-yl-5,7-dihydro-4H-furo[2,3-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-propan-2-yl-1,3,4,7-tetrahydrocyclopenta[c]pyridine;bis(5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;icosakis(yttrium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of ethane;bis(1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine);3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine;1-methyl-5-propan-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;6-propan-2-yl-5,7-dihydro-4H-furo[2,3-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-propan-2-yl-1,3,4,7-tetrahydrocyclopenta[c]pyridine;bis(5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;icosakis(yttrium)?
The IUPAC name of ethane;bis(1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine);3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine;1-methyl-5-propan-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;6-propan-2-yl-5,7-dihydro-4H-furo[2,3-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-propan-2-yl-1,3,4,7-tetrahydrocyclopenta[c]pyridine;bis(5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;icosakis(yttrium) (CID 159497212) is ethane;bis(1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine);3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine;1-methyl-5-propan-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;6-propan-2-yl-5,7-dihydro-4H-furo[2,3-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-propan-2-yl-1,3,4,7-tetrahydrocyclopenta[c]pyridine;bis(5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;icosakis(yttrium).
What is the SMILES notation for ethane;bis(1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine);3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine;1-methyl-5-propan-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;6-propan-2-yl-5,7-dihydro-4H-furo[2,3-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-propan-2-yl-1,3,4,7-tetrahydrocyclopenta[c]pyridine;bis(5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;icosakis(yttrium)?
The canonical SMILES for ethane;bis(1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine);3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine;1-methyl-5-propan-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;6-propan-2-yl-5,7-dihydro-4H-furo[2,3-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-propan-2-yl-1,3,4,7-tetrahydrocyclopenta[c]pyridine;bis(5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;icosakis(yttrium) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCC2=C(CC=C2)C1.CC(C)N1CCC2=C(CC=N2)C1.CC(C)N1CCc2[nH]ncc2C1.CC(C)N1CCc2c(c[nH][n+]2C)C1.CC(C)N1CCc2c(ncn2C)C1.CC(C)N1CCc2c(ncn2C)C1.CC(C)N1CCc2ccn(C)c2C1.CC(C)N1CCc2ccoc2C1.CC(C)N1CCc2ccsc2C1.CC(C)N1CCc2nc[nH]c2C1.CC(C)N1CCc2nc[nH]c2C1.CC(C)N1CCc2ncn(C)c2C1.CC(C)N1CCc2ncoc2C1.CC(C)N1CCc2ncsc2C1.CC(C)N1CCc2ocnc2C1.CC(C)N1CCc2ocnc2C1.CC(C)N1CCc2oncc2C1.CC(C)N1CCc2scnc2C1.CC(C)N1CCc2scnc2C1.CC(C)N1CCc2sncc2C1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of ethane;bis(1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine);3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine;1-methyl-5-propan-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;6-propan-2-yl-5,7-dihydro-4H-furo[2,3-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-propan-2-yl-1,3,4,7-tetrahydrocyclopenta[c]pyridine;bis(5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;icosakis(yttrium)?
The InChIKey is ATAZRZQIUWWGFQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H18N2.C11H17N.4C10H17N3.C10H16N2.C10H15NO.C10H15NS.3C9H15N3.4C9H14N2O.4C9H14N2S.36C2H6.20Y/c1-9(2)13-7-5-10-4-6-12(3)11(10)8-13;1-9(2)12-7-6-10-4-3-5-11(10)8-12;2*1-8(2)13-5-4-10-9(6-13)11-7-12(10)3;1-8(2)13-5-4-10-9(7-13)6-11-12(10)3;1-8(2)13-5-4-9-10(6-13)12(3)7-11-9;1-8(2)12-6-4-10-9(7-12)3-5-11-10;2*1-8(2)11-5-3-9-4-6-12-10(9)7-11;1-7(2)12-4-3-9-8(6-12)5-10-11-9;2*1-7(2)12-4-3-8-9(5-12)11-6-10-8;2*1-7(2)11-4-3-9-8(5-11)10-6-12-9;1-7(2)11-4-3-9-8(6-11)5-10-12-9;1-7(2)11-4-3-8-9(5-11)12-6-10-8;2*1-7(2)11-4-3-9-8(5-11)10-6-12-9;1-7(2)11-4-3-9-8(6-11)5-10-12-9;1-7(2)11-4-3-8-9(5-11)12-6-10-8;36*1-2;;;;;;;;;;;;;;;;;;;;/h4,6,9H,5,7-8H2,1-3H3;3-4,9H,5-8H2,1-2H3;2*7-8H,4-6H2,1-3H3;6,8H,4-5,7H2,1-3H3;7-8H,4-6H2,1-3H3;5,8H,3-4,6-7H2,1-2H3;2*4,6,8H,3,5,7H2,1-2H3;5,7H,3-4,6H2,1-2H3,(H,10,11);2*6-7H,3-5H2,1-2H3,(H,10,11);2*6-7H,3-5H2,1-2H3;5,7H,3-4,6H2,1-2H3;3*6-7H,3-5H2,1-2H3;5,7H,3-4,6H2,1-2H3;6-7H,3-5H2,1-2H3;36*1-2H3;;;;;;;;;;;;;;;;;;;;/p+1.
What are the key properties of ethane;bis(1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine);3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine;1-methyl-5-propan-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;6-propan-2-yl-5,7-dihydro-4H-furo[2,3-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-propan-2-yl-1,3,4,7-tetrahydrocyclopenta[c]pyridine;bis(5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;icosakis(yttrium)?
ethane;bis(1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine);3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine;1-methyl-5-propan-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;6-propan-2-yl-5,7-dihydro-4H-furo[2,3-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-propan-2-yl-1,3,4,7-tetrahydrocyclopenta[c]pyridine;bis(5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;icosakis(yttrium) has a molecular weight of 6320.84 g/mol, XLogP of 68.53, 20 rotatable bonds, 4 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine);3-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine;1-methyl-5-propan-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;6-propan-2-yl-5,7-dihydro-4H-furo[2,3-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine;bis(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine);5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-propan-2-yl-1,3,4,7-tetrahydrocyclopenta[c]pyridine;bis(5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;icosakis(yttrium) is sourced from PubChem (CID 159497212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).