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

C264H525N45O4S4Y20 — CID 160554761

IUPACethane;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]thiazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,4-c]pyridine;tris(5-propan-2-yl-2,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-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=NCN=C2C1.CC(C)N1CCC2=NCN=C2C1.CC(C)N1CCC2=NCN=C2C1.CC(C)N1CCc2[nH]ccc2C1.CC(C)N1CCc2[nH]ncc2C1.CC(C)N1CCc2c(ccn2C)C1.CC(C)N1CCc2c[nH]cc2C1.CC(C)N1CCc2cn(C)cc2C1.CC(C)N1CCc2cn(C)nc2C1.CC(C)N1CCc2cn[nH]c2C1.CC(C)N1CCc2cocc2C1.CC(C)N1CCc2conc2C1.CC(C)N1CCc2cscc2C1.CC(C)N1CCc2csnc2C1.CC(C)N1CCc2nn(C)cc2C1.CC(C)N1CCc2nn(C)nc2C1.CC(C)N1CCc2nocc2C1.CC(C)N1CCc2nscc2C1.CC(C)N1CCc2occc2C1.CC(C)N1CCc2sccc2C1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/2C11H18N2.2C10H17N3.2C10H16N2.2C10H15NO.2C10H15NS.C9H16N4.5C9H15N3.2C9H14N2O.2C9H14N2S.36C2H6.20Y/c1-9(2)13-7-5-11-10(8-13)4-6-12(11)3;1-9(2)13-5-4-10-6-12(3)7-11(10)8-13;1-8(2)13-5-4-10-9(7-13)6-12(3)11-10;1-8(2)13-5-4-9-6-12(3)11-10(9)7-13;1-8(2)12-6-4-10-9(7-12)3-5-11-10;1-8(2)12-4-3-9-5-11-6-10(9)7-12;1-8(2)11-5-3-10-9(7-11)4-6-12-10;1-8(2)11-4-3-9-6-12-7-10(9)5-11;1-8(2)11-5-3-10-9(7-11)4-6-12-10;1-8(2)11-4-3-9-6-12-7-10(9)5-11;1-7(2)13-5-4-8-9(6-13)11-12(3)10-8;1-7(2)12-4-3-9-8(6-12)5-10-11-9;3*1-7(2)12-4-3-8-9(5-12)11-6-10-8;1-7(2)12-4-3-8-5-10-11-9(8)6-12;1-7(2)11-4-3-9-8(5-11)6-12-10-9;1-7(2)11-4-3-8-6-12-10-9(8)5-11;1-7(2)11-4-3-9-8(5-11)6-12-10-9;1-7(2)11-4-3-8-6-12-10-9(8)5-11;36*1-2;;;;;;;;;;;;;;;;;;;;/h4,6,9H,5,7-8H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;2*6,8H,4-5,7H2,1-3H3;3,5,8,11H,4,6-7H2,1-2H3;5-6,8,11H,3-4,7H2,1-2H3;4,6,8H,3,5,7H2,1-2H3;6-8H,3-5H2,1-2H3;4,6,8H,3,5,7H2,1-2H3;6-8H,3-5H2,1-2H3;7H,4-6H2,1-3H3;5,7H,3-4,6H2,1-2H3,(H,10,11);3*7H,3-6H2,1-2H3;5,7H,3-4,6H2,1-2H3,(H,10,11);4*6-7H,3-5H2,1-2H3;36*1-2H3;;;;;;;;;;;;;;;;;;;;
InChIKeyQYNMXRXGGIJVNV-UHFFFAOYSA-N
MW6300.80 g/mol
LogP68.03
Rot. Bonds20

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

ethane;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]thiazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,4-c]pyridine;tris(5-propan-2-yl-2,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;icosakis(yttrium) (PubChem CID 160554761) has the molecular formula C264H525N45O4S4Y20 and a molecular weight of 6300.80 g/mol. Its IUPAC name is ethane;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]thiazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,4-c]pyridine;tris(5-propan-2-yl-2,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;icosakis(yttrium).

Molecular Properties

Compound Nameethane;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]thiazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,4-c]pyridine;tris(5-propan-2-yl-2,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;icosakis(yttrium)
PubChem CID160554761
Molecular FormulaC264H525N45O4S4Y20
Molecular Weight6300.80 g/mol
Exact Mass6297.23
IUPAC Nameethane;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]thiazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,4-c]pyridine;tris(5-propan-2-yl-2,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-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=NCN=C2C1.CC(C)N1CCC2=NCN=C2C1.CC(C)N1CCC2=NCN=C2C1.CC(C)N1CCc2[nH]ccc2C1.CC(C)N1CCc2[nH]ncc2C1.CC(C)N1CCc2c(ccn2C)C1.CC(C)N1CCc2c[nH]cc2C1.CC(C)N1CCc2cn(C)cc2C1.CC(C)N1CCc2cn(C)nc2C1.CC(C)N1CCc2cn[nH]c2C1.CC(C)N1CCc2cocc2C1.CC(C)N1CCc2conc2C1.CC(C)N1CCc2cscc2C1.CC(C)N1CCc2csnc2C1.CC(C)N1CCc2nn(C)cc2C1.CC(C)N1CCc2nn(C)nc2C1.CC(C)N1CCc2nocc2C1.CC(C)N1CCc2nscc2C1.CC(C)N1CCc2occc2C1.CC(C)N1CCc2sccc2C1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/2C11H18N2.2C10H17N3.2C10H16N2.2C10H15NO.2C10H15NS.C9H16N4.5C9H15N3.2C9H14N2O.2C9H14N2S.36C2H6.20Y/c1-9(2)13-7-5-11-10(8-13)4-6-12(11)3;1-9(2)13-5-4-10-6-12(3)7-11(10)8-13;1-8(2)13-5-4-10-9(7-13)6-12(3)11-10;1-8(2)13-5-4-9-6-12(3)11-10(9)7-13;1-8(2)12-6-4-10-9(7-12)3-5-11-10;1-8(2)12-4-3-9-5-11-6-10(9)7-12;1-8(2)11-5-3-10-9(7-11)4-6-12-10;1-8(2)11-4-3-9-6-12-7-10(9)5-11;1-8(2)11-5-3-10-9(7-11)4-6-12-10;1-8(2)11-4-3-9-6-12-7-10(9)5-11;1-7(2)13-5-4-8-9(6-13)11-12(3)10-8;1-7(2)12-4-3-9-8(6-12)5-10-11-9;3*1-7(2)12-4-3-8-9(5-12)11-6-10-8;1-7(2)12-4-3-8-5-10-11-9(8)6-12;1-7(2)11-4-3-9-8(5-11)6-12-10-9;1-7(2)11-4-3-8-6-12-10-9(8)5-11;1-7(2)11-4-3-9-8(5-11)6-12-10-9;1-7(2)11-4-3-8-6-12-10-9(8)5-11;36*1-2;;;;;;;;;;;;;;;;;;;;/h4,6,9H,5,7-8H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;2*6,8H,4-5,7H2,1-3H3;3,5,8,11H,4,6-7H2,1-2H3;5-6,8,11H,3-4,7H2,1-2H3;4,6,8H,3,5,7H2,1-2H3;6-8H,3-5H2,1-2H3;4,6,8H,3,5,7H2,1-2H3;6-8H,3-5H2,1-2H3;7H,4-6H2,1-3H3;5,7H,3-4,6H2,1-2H3,(H,10,11);3*7H,3-6H2,1-2H3;5,7H,3-4,6H2,1-2H3,(H,10,11);4*6-7H,3-5H2,1-2H3;36*1-2H3;;;;;;;;;;;;;;;;;;;;
InChIKeyQYNMXRXGGIJVNV-UHFFFAOYSA-N
XLogP68.03
TPSA408.23 Ų
H-Bond Donors4
H-Bond Acceptors49
Rotatable Bonds20
Heavy Atoms337
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006300.80
LogP ≤ 568.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1049

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

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What is the IUPAC name of ethane;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]thiazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,4-c]pyridine;tris(5-propan-2-yl-2,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;icosakis(yttrium)?
The IUPAC name of ethane;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]thiazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,4-c]pyridine;tris(5-propan-2-yl-2,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;icosakis(yttrium) (CID 160554761) is ethane;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]thiazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,4-c]pyridine;tris(5-propan-2-yl-2,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;icosakis(yttrium).
What is the SMILES notation for ethane;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]thiazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,4-c]pyridine;tris(5-propan-2-yl-2,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;icosakis(yttrium)?
The canonical SMILES for ethane;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]thiazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,4-c]pyridine;tris(5-propan-2-yl-2,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-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=NCN=C2C1.CC(C)N1CCC2=NCN=C2C1.CC(C)N1CCC2=NCN=C2C1.CC(C)N1CCc2[nH]ccc2C1.CC(C)N1CCc2[nH]ncc2C1.CC(C)N1CCc2c(ccn2C)C1.CC(C)N1CCc2c[nH]cc2C1.CC(C)N1CCc2cn(C)cc2C1.CC(C)N1CCc2cn(C)nc2C1.CC(C)N1CCc2cn[nH]c2C1.CC(C)N1CCc2cocc2C1.CC(C)N1CCc2conc2C1.CC(C)N1CCc2cscc2C1.CC(C)N1CCc2csnc2C1.CC(C)N1CCc2nn(C)cc2C1.CC(C)N1CCc2nn(C)nc2C1.CC(C)N1CCc2nocc2C1.CC(C)N1CCc2nscc2C1.CC(C)N1CCc2occc2C1.CC(C)N1CCc2sccc2C1.[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;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]thiazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,4-c]pyridine;tris(5-propan-2-yl-2,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;icosakis(yttrium)?
The InChIKey is QYNMXRXGGIJVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H18N2.2C10H17N3.2C10H16N2.2C10H15NO.2C10H15NS.C9H16N4.5C9H15N3.2C9H14N2O.2C9H14N2S.36C2H6.20Y/c1-9(2)13-7-5-11-10(8-13)4-6-12(11)3;1-9(2)13-5-4-10-6-12(3)7-11(10)8-13;1-8(2)13-5-4-10-9(7-13)6-12(3)11-10;1-8(2)13-5-4-9-6-12(3)11-10(9)7-13;1-8(2)12-6-4-10-9(7-12)3-5-11-10;1-8(2)12-4-3-9-5-11-6-10(9)7-12;1-8(2)11-5-3-10-9(7-11)4-6-12-10;1-8(2)11-4-3-9-6-12-7-10(9)5-11;1-8(2)11-5-3-10-9(7-11)4-6-12-10;1-8(2)11-4-3-9-6-12-7-10(9)5-11;1-7(2)13-5-4-8-9(6-13)11-12(3)10-8;1-7(2)12-4-3-9-8(6-12)5-10-11-9;3*1-7(2)12-4-3-8-9(5-12)11-6-10-8;1-7(2)12-4-3-8-5-10-11-9(8)6-12;1-7(2)11-4-3-9-8(5-11)6-12-10-9;1-7(2)11-4-3-8-6-12-10-9(8)5-11;1-7(2)11-4-3-9-8(5-11)6-12-10-9;1-7(2)11-4-3-8-6-12-10-9(8)5-11;36*1-2;;;;;;;;;;;;;;;;;;;;/h4,6,9H,5,7-8H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;2*6,8H,4-5,7H2,1-3H3;3,5,8,11H,4,6-7H2,1-2H3;5-6,8,11H,3-4,7H2,1-2H3;4,6,8H,3,5,7H2,1-2H3;6-8H,3-5H2,1-2H3;4,6,8H,3,5,7H2,1-2H3;6-8H,3-5H2,1-2H3;7H,4-6H2,1-3H3;5,7H,3-4,6H2,1-2H3,(H,10,11);3*7H,3-6H2,1-2H3;5,7H,3-4,6H2,1-2H3,(H,10,11);4*6-7H,3-5H2,1-2H3;36*1-2H3;;;;;;;;;;;;;;;;;;;;.
What are the key properties of ethane;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]thiazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,4-c]pyridine;tris(5-propan-2-yl-2,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;icosakis(yttrium)?
ethane;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]thiazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,4-c]pyridine;tris(5-propan-2-yl-2,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;icosakis(yttrium) has a molecular weight of 6300.80 g/mol, XLogP of 68.03, 20 rotatable bonds, 4 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine;2-methyl-5-propan-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,2]thiazolo[4,3-c]pyridine;6-propan-2-yl-5,7-dihydro-4H-[1,2]thiazolo[3,4-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,4-c]pyridine;tris(5-propan-2-yl-2,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;icosakis(yttrium) is sourced from PubChem (CID 160554761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).