5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-4-(trifluoromethyl)pyridine

C157H215F5N22O8 — CID 159544174

IUPAC5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCC(=O)c1ccc(C(C)C)nc1.CC(C)c1cc(C(F)(F)F)ccn1.CC(C)c1ccc(Cc2ccc(F)c(F)c2)cn1.CC(C)c1ccc(N(C)C)cn1.CC(C)c1ccc(N)cn1.CC(C)c1ccc(N2CCOCC2)cn1.CCc1ccc(C(C)C)nc1.COC(=O)CN1CCN(c2ccc(C(C)C)nc2)CC1.COc1ccc(C(C)C)nc1.COc1ccc(C(C)C)nc1.COc1cccc(C(C)C)n1.COc1ccnc(C(C)C)c1.Cc1ccc(C)n1-c1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.[C-]#[N+]c1ccc(C(C)C)nc1
InChIInChI=1S/C15H15F2N.C15H23N3O2.C14H18N2.C12H18N2O.C10H16N2.C10H13NO.C10H15N.C9H10F3N.C9H10N2.4C9H13NO.C9H13N.C8H12N2/c1-10(2)15-6-4-12(9-18-15)7-11-3-5-13(16)14(17)8-11;1-12(2)14-5-4-13(10-16-14)18-8-6-17(7-9-18)11-15(19)20-3;1-10(2)14-8-7-13(9-15-14)16-11(3)5-6-12(16)4;1-10(2)12-4-3-11(9-13-12)14-5-7-15-8-6-14;1-8(2)10-6-5-9(7-11-10)12(3)4;1-7(2)10-5-4-9(6-11-10)8(3)12;1-4-9-5-6-10(8(2)3)11-7-9;1-6(2)8-5-7(3-4-13-8)9(10,11)12;1-7(2)9-5-4-8(10-3)6-11-9;1-7(2)9-6-8(11-3)4-5-10-9;2*1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-4-3-7(9)5-10-8/h3-6,8-10H,7H2,1-2H3;4-5,10,12H,6-9,11H2,1-3H3;5-10H,1-4H3;3-4,9-10H,5-8H2,1-2H3;5-8H,1-4H3;4-7H,1-3H3;5-8H,4H2,1-3H3;3-6H,1-2H3;4-7H,1-2H3;4*4-7H,1-3H3;4-7H,1-3H3;3-6H,9H2,1-2H3
InChIKeyMEOYCQNKEPNNRV-UHFFFAOYSA-N
MW2633.58 g/mol
LogP37.81
Rot. Bonds29

About 5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-4-(trifluoromethyl)pyridine

5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 159544174) has the molecular formula C157H215F5N22O8 and a molecular weight of 2633.58 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-4-(trifluoromethyl)pyridine
PubChem CID159544174
Molecular FormulaC157H215F5N22O8
Molecular Weight2633.58 g/mol
Exact Mass2631.70
IUPAC Name5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCC(=O)c1ccc(C(C)C)nc1.CC(C)c1cc(C(F)(F)F)ccn1.CC(C)c1ccc(Cc2ccc(F)c(F)c2)cn1.CC(C)c1ccc(N(C)C)cn1.CC(C)c1ccc(N)cn1.CC(C)c1ccc(N2CCOCC2)cn1.CCc1ccc(C(C)C)nc1.COC(=O)CN1CCN(c2ccc(C(C)C)nc2)CC1.COc1ccc(C(C)C)nc1.COc1ccc(C(C)C)nc1.COc1cccc(C(C)C)n1.COc1ccnc(C(C)C)c1.Cc1ccc(C)n1-c1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.[C-]#[N+]c1ccc(C(C)C)nc1
InChIInChI=1S/C15H15F2N.C15H23N3O2.C14H18N2.C12H18N2O.C10H16N2.C10H13NO.C10H15N.C9H10F3N.C9H10N2.4C9H13NO.C9H13N.C8H12N2/c1-10(2)15-6-4-12(9-18-15)7-11-3-5-13(16)14(17)8-11;1-12(2)14-5-4-13(10-16-14)18-8-6-17(7-9-18)11-15(19)20-3;1-10(2)14-8-7-13(9-15-14)16-11(3)5-6-12(16)4;1-10(2)12-4-3-11(9-13-12)14-5-7-15-8-6-14;1-8(2)10-6-5-9(7-11-10)12(3)4;1-7(2)10-5-4-9(6-11-10)8(3)12;1-4-9-5-6-10(8(2)3)11-7-9;1-6(2)8-5-7(3-4-13-8)9(10,11)12;1-7(2)9-5-4-8(10-3)6-11-9;1-7(2)9-6-8(11-3)4-5-10-9;2*1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-4-3-7(9)5-10-8/h3-6,8-10H,7H2,1-2H3;4-5,10,12H,6-9,11H2,1-3H3;5-10H,1-4H3;3-4,9-10H,5-8H2,1-2H3;5-8H,1-4H3;4-7H,1-3H3;5-8H,4H2,1-3H3;3-6H,1-2H3;4-7H,1-2H3;4*4-7H,1-3H3;4-7H,1-3H3;3-6H,9H2,1-2H3
InChIKeyMEOYCQNKEPNNRV-UHFFFAOYSA-N
XLogP37.81
TPSA331.14 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds29
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002633.58
LogP ≤ 537.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-4-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-4-(trifluoromethyl)pyridine (CID 159544174) is 5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-4-(trifluoromethyl)pyridine is CC(=O)c1ccc(C(C)C)nc1.CC(C)c1cc(C(F)(F)F)ccn1.CC(C)c1ccc(Cc2ccc(F)c(F)c2)cn1.CC(C)c1ccc(N(C)C)cn1.CC(C)c1ccc(N)cn1.CC(C)c1ccc(N2CCOCC2)cn1.CCc1ccc(C(C)C)nc1.COC(=O)CN1CCN(c2ccc(C(C)C)nc2)CC1.COc1ccc(C(C)C)nc1.COc1ccc(C(C)C)nc1.COc1cccc(C(C)C)n1.COc1ccnc(C(C)C)c1.Cc1ccc(C)n1-c1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.[C-]#[N+]c1ccc(C(C)C)nc1.
What is the InChIKey of 5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is MEOYCQNKEPNNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N.C15H23N3O2.C14H18N2.C12H18N2O.C10H16N2.C10H13NO.C10H15N.C9H10F3N.C9H10N2.4C9H13NO.C9H13N.C8H12N2/c1-10(2)15-6-4-12(9-18-15)7-11-3-5-13(16)14(17)8-11;1-12(2)14-5-4-13(10-16-14)18-8-6-17(7-9-18)11-15(19)20-3;1-10(2)14-8-7-13(9-15-14)16-11(3)5-6-12(16)4;1-10(2)12-4-3-11(9-13-12)14-5-7-15-8-6-14;1-8(2)10-6-5-9(7-11-10)12(3)4;1-7(2)10-5-4-9(6-11-10)8(3)12;1-4-9-5-6-10(8(2)3)11-7-9;1-6(2)8-5-7(3-4-13-8)9(10,11)12;1-7(2)9-5-4-8(10-3)6-11-9;1-7(2)9-6-8(11-3)4-5-10-9;2*1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-4-3-7(9)5-10-8/h3-6,8-10H,7H2,1-2H3;4-5,10,12H,6-9,11H2,1-3H3;5-10H,1-4H3;3-4,9-10H,5-8H2,1-2H3;5-8H,1-4H3;4-7H,1-3H3;5-8H,4H2,1-3H3;3-6H,1-2H3;4-7H,1-2H3;4*4-7H,1-3H3;4-7H,1-3H3;3-6H,9H2,1-2H3.
What are the key properties of 5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-4-(trifluoromethyl)pyridine?
5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 2633.58 g/mol, XLogP of 37.81, 29 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 159544174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).