3-(azetidin-2-ylmethoxy)-5-propan-2-ylpyridine;2,3-dimethylbut-1-ene;ethyl (Z)-4-methylpent-2-enoate;2-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;6-methoxy-5-propan-2-ylpyridin-3-amine;3-methylbut-1-ene;[(E)-3-methylbut-1-enyl]benzene;1-[(E)-3-methylbut-1-enyl]naphthalene;[(E)-4-methylpent-1-enyl]benzene;3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-nitro-5-propan-2-ylpyridine;3-propan-2-ylcyclohexene;4-propan-2-yl-2,3-dihydro-1-benzofuran;1-(2-propan-2-ylphenyl)ethanone;5-propan-2-ylpyrimidin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine

C181H258F5N17O9 — CID 159809692

IUPAC3-(azetidin-2-ylmethoxy)-5-propan-2-ylpyridine;2,3-dimethylbut-1-ene;ethyl (Z)-4-methylpent-2-enoate;2-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;6-methoxy-5-propan-2-ylpyridin-3-amine;3-methylbut-1-ene;[(E)-3-methylbut-1-enyl]benzene;1-[(E)-3-methylbut-1-enyl]naphthalene;[(E)-4-methylpent-1-enyl]benzene;3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-nitro-5-propan-2-ylpyridine;3-propan-2-ylcyclohexene;4-propan-2-yl-2,3-dihydro-1-benzofuran;1-(2-propan-2-ylphenyl)ethanone;5-propan-2-ylpyrimidin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESC=C(C)C(C)C.C=CC(C)C.CC(=O)c1ccccc1C(C)C.CC(C)/C=C/c1cccc2ccccc12.CC(C)/C=C/c1ccccc1.CC(C)C/C=C/c1ccccc1.CC(C)C1C=CCCC1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc([N+](=O)[O-])nc1.CC(C)c1cccc2c1CCO2.CC(C)c1ccnc(F)c1.CC(C)c1cnc(N)nc1.CC(C)c1cncc(OCC2CCN2)c1.CCOC(=O)/C=C\C(C)C.COc1ncc(N)cc1C(C)C.Cc1[nH]ncc1C(C)C.Cc1ccc(C(C)C)cn1.Cc1ccnc(C(C)C)c1.Cc1nocc1C(C)C
InChIInChI=1S/C15H16.C12H18N2O.C12H16.2C11H14O.C11H14.C9H10F3N.C9H14N2O.2C9H13N.C9H16.2C8H10FN.C8H10N2O2.C8H14O2.C7H11N3.C7H12N2.C7H11NO.C6H12.C5H10/c1-12(2)10-11-14-8-5-7-13-6-3-4-9-15(13)14;1-9(2)10-5-12(7-13-6-10)15-8-11-3-4-14-11;1-11(2)7-6-10-12-8-4-3-5-9-12;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-6-4-5-7-11(10)9(3)12;1-10(2)8-9-11-6-4-3-5-7-11;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)8-4-7(10)5-11-9(8)12-3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-8(3)4-5-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9-5-7)10(11)12;1-4-10-8(9)6-5-7(2)3;1-5(2)6-3-9-7(8)10-4-6;1-5(2)7-4-8-9-6(7)3;1-5(2)7-4-9-8-6(7)3;1-5(2)6(3)4;1-4-5(2)3/h3-12H,1-2H3;5-7,9,11,14H,3-4,8H2,1-2H3;3-6,8-11H,7H2,1-2H3;3-5,8H,6-7H2,1-2H3;4-8H,1-3H3;3-10H,1-2H3;3-6H,1-2H3;4-6H,10H2,1-3H3;2*4-7H,1-3H3;4,6,8-9H,3,5,7H2,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;5-7H,4H2,1-3H3;3-5H,1-2H3,(H2,8,9,10);4-5H,1-3H3,(H,8,9);4-5H,1-3H3;6H,1H2,2-4H3;4-5H,1H2,2-3H3/b11-10+;;10-6+;;;9-8+;;;;;;;;;6-5-;;;;;
InChIKeyNKWCNWODHCTPBR-CTRCUHJOSA-N
MW2911.15 g/mol
LogP50.10
Rot. Bonds32

About 3-(azetidin-2-ylmethoxy)-5-propan-2-ylpyridine;2,3-dimethylbut-1-ene;ethyl (Z)-4-methylpent-2-enoate;2-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;6-methoxy-5-propan-2-ylpyridin-3-amine;3-methylbut-1-ene;[(E)-3-methylbut-1-enyl]benzene;1-[(E)-3-methylbut-1-enyl]naphthalene;[(E)-4-methylpent-1-enyl]benzene;3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-nitro-5-propan-2-ylpyridine;3-propan-2-ylcyclohexene;4-propan-2-yl-2,3-dihydro-1-benzofuran;1-(2-propan-2-ylphenyl)ethanone;5-propan-2-ylpyrimidin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine

3-(azetidin-2-ylmethoxy)-5-propan-2-ylpyridine;2,3-dimethylbut-1-ene;ethyl (Z)-4-methylpent-2-enoate;2-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;6-methoxy-5-propan-2-ylpyridin-3-amine;3-methylbut-1-ene;[(E)-3-methylbut-1-enyl]benzene;1-[(E)-3-methylbut-1-enyl]naphthalene;[(E)-4-methylpent-1-enyl]benzene;3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-nitro-5-propan-2-ylpyridine;3-propan-2-ylcyclohexene;4-propan-2-yl-2,3-dihydro-1-benzofuran;1-(2-propan-2-ylphenyl)ethanone;5-propan-2-ylpyrimidin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 159809692) has the molecular formula C181H258F5N17O9 and a molecular weight of 2911.15 g/mol. Its IUPAC name is 3-(azetidin-2-ylmethoxy)-5-propan-2-ylpyridine;2,3-dimethylbut-1-ene;ethyl (Z)-4-methylpent-2-enoate;2-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;6-methoxy-5-propan-2-ylpyridin-3-amine;3-methylbut-1-ene;[(E)-3-methylbut-1-enyl]benzene;1-[(E)-3-methylbut-1-enyl]naphthalene;[(E)-4-methylpent-1-enyl]benzene;3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-nitro-5-propan-2-ylpyridine;3-propan-2-ylcyclohexene;4-propan-2-yl-2,3-dihydro-1-benzofuran;1-(2-propan-2-ylphenyl)ethanone;5-propan-2-ylpyrimidin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(azetidin-2-ylmethoxy)-5-propan-2-ylpyridine;2,3-dimethylbut-1-ene;ethyl (Z)-4-methylpent-2-enoate;2-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;6-methoxy-5-propan-2-ylpyridin-3-amine;3-methylbut-1-ene;[(E)-3-methylbut-1-enyl]benzene;1-[(E)-3-methylbut-1-enyl]naphthalene;[(E)-4-methylpent-1-enyl]benzene;3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-nitro-5-propan-2-ylpyridine;3-propan-2-ylcyclohexene;4-propan-2-yl-2,3-dihydro-1-benzofuran;1-(2-propan-2-ylphenyl)ethanone;5-propan-2-ylpyrimidin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine
PubChem CID159809692
Molecular FormulaC181H258F5N17O9
Molecular Weight2911.15 g/mol
Exact Mass2909.02
IUPAC Name3-(azetidin-2-ylmethoxy)-5-propan-2-ylpyridine;2,3-dimethylbut-1-ene;ethyl (Z)-4-methylpent-2-enoate;2-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;6-methoxy-5-propan-2-ylpyridin-3-amine;3-methylbut-1-ene;[(E)-3-methylbut-1-enyl]benzene;1-[(E)-3-methylbut-1-enyl]naphthalene;[(E)-4-methylpent-1-enyl]benzene;3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-nitro-5-propan-2-ylpyridine;3-propan-2-ylcyclohexene;4-propan-2-yl-2,3-dihydro-1-benzofuran;1-(2-propan-2-ylphenyl)ethanone;5-propan-2-ylpyrimidin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESC=C(C)C(C)C.C=CC(C)C.CC(=O)c1ccccc1C(C)C.CC(C)/C=C/c1cccc2ccccc12.CC(C)/C=C/c1ccccc1.CC(C)C/C=C/c1ccccc1.CC(C)C1C=CCCC1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc([N+](=O)[O-])nc1.CC(C)c1cccc2c1CCO2.CC(C)c1ccnc(F)c1.CC(C)c1cnc(N)nc1.CC(C)c1cncc(OCC2CCN2)c1.CCOC(=O)/C=C\C(C)C.COc1ncc(N)cc1C(C)C.Cc1[nH]ncc1C(C)C.Cc1ccc(C(C)C)cn1.Cc1ccnc(C(C)C)c1.Cc1nocc1C(C)C
InChIInChI=1S/C15H16.C12H18N2O.C12H16.2C11H14O.C11H14.C9H10F3N.C9H14N2O.2C9H13N.C9H16.2C8H10FN.C8H10N2O2.C8H14O2.C7H11N3.C7H12N2.C7H11NO.C6H12.C5H10/c1-12(2)10-11-14-8-5-7-13-6-3-4-9-15(13)14;1-9(2)10-5-12(7-13-6-10)15-8-11-3-4-14-11;1-11(2)7-6-10-12-8-4-3-5-9-12;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-6-4-5-7-11(10)9(3)12;1-10(2)8-9-11-6-4-3-5-7-11;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)8-4-7(10)5-11-9(8)12-3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-8(3)4-5-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9-5-7)10(11)12;1-4-10-8(9)6-5-7(2)3;1-5(2)6-3-9-7(8)10-4-6;1-5(2)7-4-8-9-6(7)3;1-5(2)7-4-9-8-6(7)3;1-5(2)6(3)4;1-4-5(2)3/h3-12H,1-2H3;5-7,9,11,14H,3-4,8H2,1-2H3;3-6,8-11H,7H2,1-2H3;3-5,8H,6-7H2,1-2H3;4-8H,1-3H3;3-10H,1-2H3;3-6H,1-2H3;4-6H,10H2,1-3H3;2*4-7H,1-3H3;4,6,8-9H,3,5,7H2,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;5-7H,4H2,1-3H3;3-5H,1-2H3,(H2,8,9,10);4-5H,1-3H3,(H,8,9);4-5H,1-3H3;6H,1H2,2-4H3;4-5H,1H2,2-3H3/b11-10+;;10-6+;;;9-8+;;;;;;;;;6-5-;;;;;
InChIKeyNKWCNWODHCTPBR-CTRCUHJOSA-N
XLogP50.10
TPSA361.88 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002911.15
LogP ≤ 550.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(azetidin-2-ylmethoxy)-5-propan-2-ylpyridine;2,3-dimethylbut-1-ene;ethyl (Z)-4-methylpent-2-enoate;2-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;6-methoxy-5-propan-2-ylpyridin-3-amine;3-methylbut-1-ene;[(E)-3-methylbut-1-enyl]benzene;1-[(E)-3-methylbut-1-enyl]naphthalene;[(E)-4-methylpent-1-enyl]benzene;3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-nitro-5-propan-2-ylpyridine;3-propan-2-ylcyclohexene;4-propan-2-yl-2,3-dihydro-1-benzofuran;1-(2-propan-2-ylphenyl)ethanone;5-propan-2-ylpyrimidin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]but-3-en-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[2-(1,2-oxazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1,2-oxazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobut-3-enyl)pyrimidin-4-yl]oxybenzamide
CID 159992983
1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]but-3-en-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[2-(1,2-oxazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1,2-oxazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobut-3-enyl)pyrimidin-4-yl]oxybenzamide;methane
CID 160023396
3-(azetidin-2-ylmethoxy)-5-propan-2-ylpyridine;2,3-dimethylbut-1-ene;ethyl (Z)-4-methylpent-2-enoate;2-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;6-methoxy-5-propan-2-ylpyridin-3-amine;3-methylbut-1-ene;[(E)-3-methylbut-1-enyl]benzene;1-[(E)-3-methylbut-1-enyl]naphthalene;[(E)-4-methylpent-1-enyl]benzene;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-nitro-5-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;3-propan-2-ylcyclohexene;4-propan-2-yl-2,3-dihydro-1-benzofuran;4-propan-2-yl-1,2-oxazole;1-(2-propan-2-ylphenyl)ethanone;5-propan-2-ylpyrimidin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 161247497
2-[3-(1,1-Difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[2-(1,2-oxazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1,2-oxazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(oxetan-3-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone
CID 161557038
3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;methane;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde
CID 167630019
3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde
CID 167693179
CID 160521363
CID 160521363
4-fluoro-6-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridin-2-amine;3-methoxy-6-methyl-5-propan-2-ylpyrazin-2-amine;3-methoxy-N-methyl-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyrazin-2-amine;2-methoxy-5-propan-2-ylpyridin-3-amine;3-methoxy-5-propan-2-ylpyridin-2-amine;4-methoxy-5-propan-2-ylpyridin-2-amine;3-methoxy-5-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1H-isoindole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1H-indazol-3-amine;6-propan-2-yl-1H-indazole;N-(6-propan-2-yl-1H-indazol-3-yl)acetamide;5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-isoindol-1-amine;5-propan-2-ylpyridin-2-amine;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidin-2-amine
CID 160678511
6-Ethyl-2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-yl-3-propan-2-yloxypyridine;2-methoxy-6-propan-2-ylpyridine;5-(4-methylphenyl)-3-propan-2-yl-1,2-oxazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-6-propan-2-yl-3-propan-2-yloxypyridine;3-methyl-5-propan-2-yl-2-propan-2-yloxypyridine;5-methyl-2-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1-benzofuran;2-propan-2-ylnaphthalene;2-propan-2-yl-5-pyrrolidin-1-ylpyridine
CID 160856612

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-2-ylmethoxy)-5-propan-2-ylpyridine;2,3-dimethylbut-1-ene;ethyl (Z)-4-methylpent-2-enoate;2-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;6-methoxy-5-propan-2-ylpyridin-3-amine;3-methylbut-1-ene;[(E)-3-methylbut-1-enyl]benzene;1-[(E)-3-methylbut-1-enyl]naphthalene;[(E)-4-methylpent-1-enyl]benzene;3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-nitro-5-propan-2-ylpyridine;3-propan-2-ylcyclohexene;4-propan-2-yl-2,3-dihydro-1-benzofuran;1-(2-propan-2-ylphenyl)ethanone;5-propan-2-ylpyrimidin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-(azetidin-2-ylmethoxy)-5-propan-2-ylpyridine;2,3-dimethylbut-1-ene;ethyl (Z)-4-methylpent-2-enoate;2-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;6-methoxy-5-propan-2-ylpyridin-3-amine;3-methylbut-1-ene;[(E)-3-methylbut-1-enyl]benzene;1-[(E)-3-methylbut-1-enyl]naphthalene;[(E)-4-methylpent-1-enyl]benzene;3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-nitro-5-propan-2-ylpyridine;3-propan-2-ylcyclohexene;4-propan-2-yl-2,3-dihydro-1-benzofuran;1-(2-propan-2-ylphenyl)ethanone;5-propan-2-ylpyrimidin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine (CID 159809692) is 3-(azetidin-2-ylmethoxy)-5-propan-2-ylpyridine;2,3-dimethylbut-1-ene;ethyl (Z)-4-methylpent-2-enoate;2-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;6-methoxy-5-propan-2-ylpyridin-3-amine;3-methylbut-1-ene;[(E)-3-methylbut-1-enyl]benzene;1-[(E)-3-methylbut-1-enyl]naphthalene;[(E)-4-methylpent-1-enyl]benzene;3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-nitro-5-propan-2-ylpyridine;3-propan-2-ylcyclohexene;4-propan-2-yl-2,3-dihydro-1-benzofuran;1-(2-propan-2-ylphenyl)ethanone;5-propan-2-ylpyrimidin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(azetidin-2-ylmethoxy)-5-propan-2-ylpyridine;2,3-dimethylbut-1-ene;ethyl (Z)-4-methylpent-2-enoate;2-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;6-methoxy-5-propan-2-ylpyridin-3-amine;3-methylbut-1-ene;[(E)-3-methylbut-1-enyl]benzene;1-[(E)-3-methylbut-1-enyl]naphthalene;[(E)-4-methylpent-1-enyl]benzene;3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-nitro-5-propan-2-ylpyridine;3-propan-2-ylcyclohexene;4-propan-2-yl-2,3-dihydro-1-benzofuran;1-(2-propan-2-ylphenyl)ethanone;5-propan-2-ylpyrimidin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(azetidin-2-ylmethoxy)-5-propan-2-ylpyridine;2,3-dimethylbut-1-ene;ethyl (Z)-4-methylpent-2-enoate;2-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;6-methoxy-5-propan-2-ylpyridin-3-amine;3-methylbut-1-ene;[(E)-3-methylbut-1-enyl]benzene;1-[(E)-3-methylbut-1-enyl]naphthalene;[(E)-4-methylpent-1-enyl]benzene;3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-nitro-5-propan-2-ylpyridine;3-propan-2-ylcyclohexene;4-propan-2-yl-2,3-dihydro-1-benzofuran;1-(2-propan-2-ylphenyl)ethanone;5-propan-2-ylpyrimidin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine is C=C(C)C(C)C.C=CC(C)C.CC(=O)c1ccccc1C(C)C.CC(C)/C=C/c1cccc2ccccc12.CC(C)/C=C/c1ccccc1.CC(C)C/C=C/c1ccccc1.CC(C)C1C=CCCC1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc([N+](=O)[O-])nc1.CC(C)c1cccc2c1CCO2.CC(C)c1ccnc(F)c1.CC(C)c1cnc(N)nc1.CC(C)c1cncc(OCC2CCN2)c1.CCOC(=O)/C=C\C(C)C.COc1ncc(N)cc1C(C)C.Cc1[nH]ncc1C(C)C.Cc1ccc(C(C)C)cn1.Cc1ccnc(C(C)C)c1.Cc1nocc1C(C)C.
What is the InChIKey of 3-(azetidin-2-ylmethoxy)-5-propan-2-ylpyridine;2,3-dimethylbut-1-ene;ethyl (Z)-4-methylpent-2-enoate;2-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;6-methoxy-5-propan-2-ylpyridin-3-amine;3-methylbut-1-ene;[(E)-3-methylbut-1-enyl]benzene;1-[(E)-3-methylbut-1-enyl]naphthalene;[(E)-4-methylpent-1-enyl]benzene;3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-nitro-5-propan-2-ylpyridine;3-propan-2-ylcyclohexene;4-propan-2-yl-2,3-dihydro-1-benzofuran;1-(2-propan-2-ylphenyl)ethanone;5-propan-2-ylpyrimidin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The InChIKey is NKWCNWODHCTPBR-CTRCUHJOSA-N. The full InChI is InChI=1S/C15H16.C12H18N2O.C12H16.2C11H14O.C11H14.C9H10F3N.C9H14N2O.2C9H13N.C9H16.2C8H10FN.C8H10N2O2.C8H14O2.C7H11N3.C7H12N2.C7H11NO.C6H12.C5H10/c1-12(2)10-11-14-8-5-7-13-6-3-4-9-15(13)14;1-9(2)10-5-12(7-13-6-10)15-8-11-3-4-14-11;1-11(2)7-6-10-12-8-4-3-5-9-12;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-6-4-5-7-11(10)9(3)12;1-10(2)8-9-11-6-4-3-5-7-11;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)8-4-7(10)5-11-9(8)12-3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-8(3)4-5-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9-5-7)10(11)12;1-4-10-8(9)6-5-7(2)3;1-5(2)6-3-9-7(8)10-4-6;1-5(2)7-4-8-9-6(7)3;1-5(2)7-4-9-8-6(7)3;1-5(2)6(3)4;1-4-5(2)3/h3-12H,1-2H3;5-7,9,11,14H,3-4,8H2,1-2H3;3-6,8-11H,7H2,1-2H3;3-5,8H,6-7H2,1-2H3;4-8H,1-3H3;3-10H,1-2H3;3-6H,1-2H3;4-6H,10H2,1-3H3;2*4-7H,1-3H3;4,6,8-9H,3,5,7H2,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;5-7H,4H2,1-3H3;3-5H,1-2H3,(H2,8,9,10);4-5H,1-3H3,(H,8,9);4-5H,1-3H3;6H,1H2,2-4H3;4-5H,1H2,2-3H3/b11-10+;;10-6+;;;9-8+;;;;;;;;;6-5-;;;;;.
What are the key properties of 3-(azetidin-2-ylmethoxy)-5-propan-2-ylpyridine;2,3-dimethylbut-1-ene;ethyl (Z)-4-methylpent-2-enoate;2-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;6-methoxy-5-propan-2-ylpyridin-3-amine;3-methylbut-1-ene;[(E)-3-methylbut-1-enyl]benzene;1-[(E)-3-methylbut-1-enyl]naphthalene;[(E)-4-methylpent-1-enyl]benzene;3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-nitro-5-propan-2-ylpyridine;3-propan-2-ylcyclohexene;4-propan-2-yl-2,3-dihydro-1-benzofuran;1-(2-propan-2-ylphenyl)ethanone;5-propan-2-ylpyrimidin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine?
3-(azetidin-2-ylmethoxy)-5-propan-2-ylpyridine;2,3-dimethylbut-1-ene;ethyl (Z)-4-methylpent-2-enoate;2-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;6-methoxy-5-propan-2-ylpyridin-3-amine;3-methylbut-1-ene;[(E)-3-methylbut-1-enyl]benzene;1-[(E)-3-methylbut-1-enyl]naphthalene;[(E)-4-methylpent-1-enyl]benzene;3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-nitro-5-propan-2-ylpyridine;3-propan-2-ylcyclohexene;4-propan-2-yl-2,3-dihydro-1-benzofuran;1-(2-propan-2-ylphenyl)ethanone;5-propan-2-ylpyrimidin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 2911.15 g/mol, XLogP of 50.10, 32 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-2-ylmethoxy)-5-propan-2-ylpyridine;2,3-dimethylbut-1-ene;ethyl (Z)-4-methylpent-2-enoate;2-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;6-methoxy-5-propan-2-ylpyridin-3-amine;3-methylbut-1-ene;[(E)-3-methylbut-1-enyl]benzene;1-[(E)-3-methylbut-1-enyl]naphthalene;[(E)-4-methylpent-1-enyl]benzene;3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-nitro-5-propan-2-ylpyridine;3-propan-2-ylcyclohexene;4-propan-2-yl-2,3-dihydro-1-benzofuran;1-(2-propan-2-ylphenyl)ethanone;5-propan-2-ylpyrimidin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 159809692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).