1-benzyl-4-(3-methylbutyl)piperidine;3-fluoro-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyridine;N-(2-hydroxy-2-methylpropyl)-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;1-(3-methylbutyl)-4-methylsulfonylbenzene;2-methylidene-6-propan-2-yl-3H-1-benzofuran;bis(1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane);1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;N-methyl-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;2-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;3-propan-2-yladamantan-1-ol;6-propan-2-yl-1,3-benzoxazole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-4,5,6,7-tetrahydro-1H-indole;7-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine

C201H307F2N17O8S2 — CID 158403663

IUPAC1-benzyl-4-(3-methylbutyl)piperidine;3-fluoro-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyridine;N-(2-hydroxy-2-methylpropyl)-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;1-(3-methylbutyl)-4-methylsulfonylbenzene;2-methylidene-6-propan-2-yl-3H-1-benzofuran;bis(1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane);1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;N-methyl-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;2-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;3-propan-2-yladamantan-1-ol;6-propan-2-yl-1,3-benzoxazole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-4,5,6,7-tetrahydro-1H-indole;7-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine
SMILESC=C1Cc2ccc(C(C)C)cc2O1.CC(C)C12CC3CC(CC(O)(C3)C1)C2.CC(C)C12CCC(C(=O)NCC(C)(C)O)(CC1)CC2.CC(C)C12CCC(C)(CC1)C2.CC(C)C12CCC(C)(CC1)C2.CC(C)C12CCC(C)(CC1)CC2.CC(C)C1CCc2[nH]ccc2C1.CC(C)C1CCc2ncnn2CC1.CC(C)CCC1CCN(Cc2ccccc2)CC1.CC(C)CCc1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccn2ncc(F)c2c1.CC(C)c1ccn2nccc2c1.CNC(=O)C12CCC(C(C)C)(CC1)CC2.Cc1cnn2ccc(C(C)C)cc12.Cc1nc2c(s1)CC(C(C)C)CC2.Cc1nn2ccc(C(C)C)cc2c1F
InChIInChI=1S/C17H27N.C16H29NO2.C13H23NO.C13H22O.C12H18O2S.C12H14O.C12H22.C11H13FN2.C11H14N2.C11H17NS.C11H17N.2C11H20.C10H11FN2.C10H17N3.C10H12N2.C10H11NO/c1-15(2)8-9-16-10-12-18(13-11-16)14-17-6-4-3-5-7-17;1-12(2)15-5-8-16(9-6-15,10-7-15)13(18)17-11-14(3,4)19;1-10(2)12-4-7-13(8-5-12,9-6-12)11(15)14-3;1-9(2)12-4-10-3-11(5-12)7-13(14,6-10)8-12;1-10(2)4-5-11-6-8-12(9-7-11)15(3,13)14;1-8(2)10-4-5-11-6-9(3)13-12(11)7-10;1-10(2)12-7-4-11(3,5-8-12)6-9-12;1-7(2)9-4-5-14-10(6-9)11(12)8(3)13-14;1-8(2)10-4-5-13-11(6-10)9(3)7-12-13;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-9(2)11-6-4-10(3,8-11)5-7-11;1-7(2)8-3-4-13-10(5-8)9(11)6-12-13;1-8(2)9-3-4-10-11-7-12-13(10)6-5-9;1-8(2)9-4-6-12-10(7-9)3-5-11-12;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-7,15-16H,8-14H2,1-2H3;12,19H,5-11H2,1-4H3,(H,17,18);10H,4-9H2,1-3H3,(H,14,15);9-11,14H,3-8H2,1-2H3;6-10H,4-5H2,1-3H3;4-5,7-8H,3,6H2,1-2H3;10H,4-9H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;7,9H,4-6H2,1-3H3;5-6,8-9,12H,3-4,7H2,1-2H3;2*9H,4-8H2,1-3H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3
InChIKeyGYKIZAYQTKUKMQ-UHFFFAOYSA-N
MW3191.91 g/mol
LogP51.63
Rot. Bonds28

About 1-benzyl-4-(3-methylbutyl)piperidine;3-fluoro-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyridine;N-(2-hydroxy-2-methylpropyl)-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;1-(3-methylbutyl)-4-methylsulfonylbenzene;2-methylidene-6-propan-2-yl-3H-1-benzofuran;bis(1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane);1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;N-methyl-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;2-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;3-propan-2-yladamantan-1-ol;6-propan-2-yl-1,3-benzoxazole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-4,5,6,7-tetrahydro-1H-indole;7-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine

1-benzyl-4-(3-methylbutyl)piperidine;3-fluoro-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyridine;N-(2-hydroxy-2-methylpropyl)-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;1-(3-methylbutyl)-4-methylsulfonylbenzene;2-methylidene-6-propan-2-yl-3H-1-benzofuran;bis(1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane);1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;N-methyl-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;2-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;3-propan-2-yladamantan-1-ol;6-propan-2-yl-1,3-benzoxazole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-4,5,6,7-tetrahydro-1H-indole;7-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine (PubChem CID 158403663) has the molecular formula C201H307F2N17O8S2 and a molecular weight of 3191.91 g/mol. Its IUPAC name is 1-benzyl-4-(3-methylbutyl)piperidine;3-fluoro-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyridine;N-(2-hydroxy-2-methylpropyl)-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;1-(3-methylbutyl)-4-methylsulfonylbenzene;2-methylidene-6-propan-2-yl-3H-1-benzofuran;bis(1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane);1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;N-methyl-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;2-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;3-propan-2-yladamantan-1-ol;6-propan-2-yl-1,3-benzoxazole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-4,5,6,7-tetrahydro-1H-indole;7-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine.

Molecular Properties

Compound Name1-benzyl-4-(3-methylbutyl)piperidine;3-fluoro-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyridine;N-(2-hydroxy-2-methylpropyl)-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;1-(3-methylbutyl)-4-methylsulfonylbenzene;2-methylidene-6-propan-2-yl-3H-1-benzofuran;bis(1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane);1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;N-methyl-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;2-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;3-propan-2-yladamantan-1-ol;6-propan-2-yl-1,3-benzoxazole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-4,5,6,7-tetrahydro-1H-indole;7-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine
PubChem CID158403663
Molecular FormulaC201H307F2N17O8S2
Molecular Weight3191.91 g/mol
Exact Mass3189.35
IUPAC Name1-benzyl-4-(3-methylbutyl)piperidine;3-fluoro-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyridine;N-(2-hydroxy-2-methylpropyl)-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;1-(3-methylbutyl)-4-methylsulfonylbenzene;2-methylidene-6-propan-2-yl-3H-1-benzofuran;bis(1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane);1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;N-methyl-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;2-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;3-propan-2-yladamantan-1-ol;6-propan-2-yl-1,3-benzoxazole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-4,5,6,7-tetrahydro-1H-indole;7-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine
SMILESC=C1Cc2ccc(C(C)C)cc2O1.CC(C)C12CC3CC(CC(O)(C3)C1)C2.CC(C)C12CCC(C(=O)NCC(C)(C)O)(CC1)CC2.CC(C)C12CCC(C)(CC1)C2.CC(C)C12CCC(C)(CC1)C2.CC(C)C12CCC(C)(CC1)CC2.CC(C)C1CCc2[nH]ccc2C1.CC(C)C1CCc2ncnn2CC1.CC(C)CCC1CCN(Cc2ccccc2)CC1.CC(C)CCc1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccn2ncc(F)c2c1.CC(C)c1ccn2nccc2c1.CNC(=O)C12CCC(C(C)C)(CC1)CC2.Cc1cnn2ccc(C(C)C)cc12.Cc1nc2c(s1)CC(C(C)C)CC2.Cc1nn2ccc(C(C)C)cc2c1F
InChIInChI=1S/C17H27N.C16H29NO2.C13H23NO.C13H22O.C12H18O2S.C12H14O.C12H22.C11H13FN2.C11H14N2.C11H17NS.C11H17N.2C11H20.C10H11FN2.C10H17N3.C10H12N2.C10H11NO/c1-15(2)8-9-16-10-12-18(13-11-16)14-17-6-4-3-5-7-17;1-12(2)15-5-8-16(9-6-15,10-7-15)13(18)17-11-14(3,4)19;1-10(2)12-4-7-13(8-5-12,9-6-12)11(15)14-3;1-9(2)12-4-10-3-11(5-12)7-13(14,6-10)8-12;1-10(2)4-5-11-6-8-12(9-7-11)15(3,13)14;1-8(2)10-4-5-11-6-9(3)13-12(11)7-10;1-10(2)12-7-4-11(3,5-8-12)6-9-12;1-7(2)9-4-5-14-10(6-9)11(12)8(3)13-14;1-8(2)10-4-5-13-11(6-10)9(3)7-12-13;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-9(2)11-6-4-10(3,8-11)5-7-11;1-7(2)8-3-4-13-10(5-8)9(11)6-12-13;1-8(2)9-3-4-10-11-7-12-13(10)6-5-9;1-8(2)9-4-6-12-10(7-9)3-5-11-12;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-7,15-16H,8-14H2,1-2H3;12,19H,5-11H2,1-4H3,(H,17,18);10H,4-9H2,1-3H3,(H,14,15);9-11,14H,3-8H2,1-2H3;6-10H,4-5H2,1-3H3;4-5,7-8H,3,6H2,1-2H3;10H,4-9H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;7,9H,4-6H2,1-3H3;5-6,8-9,12H,3-4,7H2,1-2H3;2*9H,4-8H2,1-3H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3
InChIKeyGYKIZAYQTKUKMQ-UHFFFAOYSA-N
XLogP51.63
TPSA299.89 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds28
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003191.91
LogP ≤ 551.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 1-benzyl-4-(3-methylbutyl)piperidine;3-fluoro-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyridine;N-(2-hydroxy-2-methylpropyl)-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;1-(3-methylbutyl)-4-methylsulfonylbenzene;2-methylidene-6-propan-2-yl-3H-1-benzofuran;bis(1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane);1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;N-methyl-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;2-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;3-propan-2-yladamantan-1-ol;6-propan-2-yl-1,3-benzoxazole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-4,5,6,7-tetrahydro-1H-indole;7-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-methylbutyl)piperidine;3-fluoro-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyridine;N-(2-hydroxy-2-methylpropyl)-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;1-(3-methylbutyl)-4-methylsulfonylbenzene;2-methylidene-6-propan-2-yl-3H-1-benzofuran;bis(1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane);1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;N-methyl-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;2-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;3-propan-2-yladamantan-1-ol;6-propan-2-yl-1,3-benzoxazole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-4,5,6,7-tetrahydro-1H-indole;7-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine?
The IUPAC name of 1-benzyl-4-(3-methylbutyl)piperidine;3-fluoro-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyridine;N-(2-hydroxy-2-methylpropyl)-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;1-(3-methylbutyl)-4-methylsulfonylbenzene;2-methylidene-6-propan-2-yl-3H-1-benzofuran;bis(1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane);1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;N-methyl-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;2-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;3-propan-2-yladamantan-1-ol;6-propan-2-yl-1,3-benzoxazole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-4,5,6,7-tetrahydro-1H-indole;7-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine (CID 158403663) is 1-benzyl-4-(3-methylbutyl)piperidine;3-fluoro-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyridine;N-(2-hydroxy-2-methylpropyl)-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;1-(3-methylbutyl)-4-methylsulfonylbenzene;2-methylidene-6-propan-2-yl-3H-1-benzofuran;bis(1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane);1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;N-methyl-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;2-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;3-propan-2-yladamantan-1-ol;6-propan-2-yl-1,3-benzoxazole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-4,5,6,7-tetrahydro-1H-indole;7-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine.
What is the SMILES notation for 1-benzyl-4-(3-methylbutyl)piperidine;3-fluoro-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyridine;N-(2-hydroxy-2-methylpropyl)-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;1-(3-methylbutyl)-4-methylsulfonylbenzene;2-methylidene-6-propan-2-yl-3H-1-benzofuran;bis(1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane);1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;N-methyl-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;2-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;3-propan-2-yladamantan-1-ol;6-propan-2-yl-1,3-benzoxazole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-4,5,6,7-tetrahydro-1H-indole;7-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine?
The canonical SMILES for 1-benzyl-4-(3-methylbutyl)piperidine;3-fluoro-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyridine;N-(2-hydroxy-2-methylpropyl)-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;1-(3-methylbutyl)-4-methylsulfonylbenzene;2-methylidene-6-propan-2-yl-3H-1-benzofuran;bis(1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane);1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;N-methyl-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;2-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;3-propan-2-yladamantan-1-ol;6-propan-2-yl-1,3-benzoxazole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-4,5,6,7-tetrahydro-1H-indole;7-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine is C=C1Cc2ccc(C(C)C)cc2O1.CC(C)C12CC3CC(CC(O)(C3)C1)C2.CC(C)C12CCC(C(=O)NCC(C)(C)O)(CC1)CC2.CC(C)C12CCC(C)(CC1)C2.CC(C)C12CCC(C)(CC1)C2.CC(C)C12CCC(C)(CC1)CC2.CC(C)C1CCc2[nH]ccc2C1.CC(C)C1CCc2ncnn2CC1.CC(C)CCC1CCN(Cc2ccccc2)CC1.CC(C)CCc1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccn2ncc(F)c2c1.CC(C)c1ccn2nccc2c1.CNC(=O)C12CCC(C(C)C)(CC1)CC2.Cc1cnn2ccc(C(C)C)cc12.Cc1nc2c(s1)CC(C(C)C)CC2.Cc1nn2ccc(C(C)C)cc2c1F.
What is the InChIKey of 1-benzyl-4-(3-methylbutyl)piperidine;3-fluoro-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyridine;N-(2-hydroxy-2-methylpropyl)-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;1-(3-methylbutyl)-4-methylsulfonylbenzene;2-methylidene-6-propan-2-yl-3H-1-benzofuran;bis(1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane);1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;N-methyl-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;2-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;3-propan-2-yladamantan-1-ol;6-propan-2-yl-1,3-benzoxazole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-4,5,6,7-tetrahydro-1H-indole;7-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine?
The InChIKey is GYKIZAYQTKUKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N.C16H29NO2.C13H23NO.C13H22O.C12H18O2S.C12H14O.C12H22.C11H13FN2.C11H14N2.C11H17NS.C11H17N.2C11H20.C10H11FN2.C10H17N3.C10H12N2.C10H11NO/c1-15(2)8-9-16-10-12-18(13-11-16)14-17-6-4-3-5-7-17;1-12(2)15-5-8-16(9-6-15,10-7-15)13(18)17-11-14(3,4)19;1-10(2)12-4-7-13(8-5-12,9-6-12)11(15)14-3;1-9(2)12-4-10-3-11(5-12)7-13(14,6-10)8-12;1-10(2)4-5-11-6-8-12(9-7-11)15(3,13)14;1-8(2)10-4-5-11-6-9(3)13-12(11)7-10;1-10(2)12-7-4-11(3,5-8-12)6-9-12;1-7(2)9-4-5-14-10(6-9)11(12)8(3)13-14;1-8(2)10-4-5-13-11(6-10)9(3)7-12-13;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-9(2)11-6-4-10(3,8-11)5-7-11;1-7(2)8-3-4-13-10(5-8)9(11)6-12-13;1-8(2)9-3-4-10-11-7-12-13(10)6-5-9;1-8(2)9-4-6-12-10(7-9)3-5-11-12;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-7,15-16H,8-14H2,1-2H3;12,19H,5-11H2,1-4H3,(H,17,18);10H,4-9H2,1-3H3,(H,14,15);9-11,14H,3-8H2,1-2H3;6-10H,4-5H2,1-3H3;4-5,7-8H,3,6H2,1-2H3;10H,4-9H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;7,9H,4-6H2,1-3H3;5-6,8-9,12H,3-4,7H2,1-2H3;2*9H,4-8H2,1-3H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3.
What are the key properties of 1-benzyl-4-(3-methylbutyl)piperidine;3-fluoro-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyridine;N-(2-hydroxy-2-methylpropyl)-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;1-(3-methylbutyl)-4-methylsulfonylbenzene;2-methylidene-6-propan-2-yl-3H-1-benzofuran;bis(1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane);1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;N-methyl-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;2-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;3-propan-2-yladamantan-1-ol;6-propan-2-yl-1,3-benzoxazole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-4,5,6,7-tetrahydro-1H-indole;7-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine?
1-benzyl-4-(3-methylbutyl)piperidine;3-fluoro-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyridine;N-(2-hydroxy-2-methylpropyl)-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;1-(3-methylbutyl)-4-methylsulfonylbenzene;2-methylidene-6-propan-2-yl-3H-1-benzofuran;bis(1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane);1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;N-methyl-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;2-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;3-propan-2-yladamantan-1-ol;6-propan-2-yl-1,3-benzoxazole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-4,5,6,7-tetrahydro-1H-indole;7-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine has a molecular weight of 3191.91 g/mol, XLogP of 51.63, 28 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-methylbutyl)piperidine;3-fluoro-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyridine;N-(2-hydroxy-2-methylpropyl)-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;1-(3-methylbutyl)-4-methylsulfonylbenzene;2-methylidene-6-propan-2-yl-3H-1-benzofuran;bis(1-methyl-4-propan-2-ylbicyclo[2.2.1]heptane);1-methyl-4-propan-2-ylbicyclo[2.2.2]octane;N-methyl-4-propan-2-ylbicyclo[2.2.2]octane-1-carboxamide;3-methyl-5-propan-2-ylpyrazolo[1,5-a]pyridine;2-methyl-6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;3-propan-2-yladamantan-1-ol;6-propan-2-yl-1,3-benzoxazole;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-yl-4,5,6,7-tetrahydro-1H-indole;7-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine is sourced from PubChem (CID 158403663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).