2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-b]pyridazine

C262H347ClF3N35O3 — CID 161131121

IUPAC2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-b]pyridazine
SMILESCC(C)c1ccc(F)nc1Cl.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCCC2=O.CC(C)c1cccc2c1CCN(C)C2=O.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cn(C)nc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2cnn(C)c12.CC(C)c1cccc2ncn(C)c12.CC(C)c1cccc2nnn(C)c12.CC(C)c1cccnc1N(C)C.CC(C)c1ccnc2c1ccn2C.CC(C)c1ccnn1C.CC(C)c1cnn2ncccc12.CCc1nc(F)ccc1C(C)C.CCc1ncccc1C(C)C.Cc1[nH]nc2cccc(C(C)C)c12.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(F)n1.Cc1ncoc1C(C)C
InChIInChI=1S/C13H17NO.C13H16O.2C12H13N.3C12H16.6C11H14N2.C10H14FN.C10H13N3.C10H12N2.2C10H16N2.2C10H15N.C9H12FN.C9H11N3.C8H9ClFN.C7H12N2.C7H11NO/c1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-5-4-6-10-11(9)13(3)7-12-10;1-8(2)10-6-4-5-9-7-13(3)12-11(9)10;1-8(2)10-6-4-5-9-7-12-13(3)11(9)10;1-7(2)9-5-4-6-10-11(9)8(3)12-13-10;1-4-9-8(7(2)3)5-6-10(11)12-9;1-7(2)8-5-4-6-9-10(8)13(3)12-11-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-8(2)9-5-6-10(11-7-9)12(3)4;1-8(2)9-6-5-7-11-10(9)12(3)4;1-7(2)10-6-5-8(3)11-9(10)4;1-4-10-9(8(2)3)6-5-7-11-10;1-6(2)8-5-4-7(3)11-9(8)10;1-7(2)8-6-11-12-9(8)4-3-5-10-12;1-5(2)6-3-4-7(10)11-8(6)9;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)8-4-9-7/h4-6,9H,7-8H2,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;2*3-9H,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;2*6-9H,3-5H2,1-2H3;5*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);5-7H,4H2,1-3H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);2*5-8H,1-4H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-5H,1-2H3;4-6H,1-3H3;4-5H,1-3H3
InChIKeyUMEWHALPNMEHLI-UHFFFAOYSA-N
MW4127.35 g/mol
LogP67.83
Rot. Bonds29

About 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-b]pyridazine

2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-b]pyridazine (PubChem CID 161131121) has the molecular formula C262H347ClF3N35O3 and a molecular weight of 4127.35 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-b]pyridazine
PubChem CID161131121
Molecular FormulaC262H347ClF3N35O3
Molecular Weight4127.35 g/mol
Exact Mass4123.77
IUPAC Name2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-b]pyridazine
SMILESCC(C)c1ccc(F)nc1Cl.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCCC2=O.CC(C)c1cccc2c1CCN(C)C2=O.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cn(C)nc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2cnn(C)c12.CC(C)c1cccc2ncn(C)c12.CC(C)c1cccc2nnn(C)c12.CC(C)c1cccnc1N(C)C.CC(C)c1ccnc2c1ccn2C.CC(C)c1ccnn1C.CC(C)c1cnn2ncccc12.CCc1nc(F)ccc1C(C)C.CCc1ncccc1C(C)C.Cc1[nH]nc2cccc(C(C)C)c12.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(F)n1.Cc1ncoc1C(C)C
InChIInChI=1S/C13H17NO.C13H16O.2C12H13N.3C12H16.6C11H14N2.C10H14FN.C10H13N3.C10H12N2.2C10H16N2.2C10H15N.C9H12FN.C9H11N3.C8H9ClFN.C7H12N2.C7H11NO/c1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-5-4-6-10-11(9)13(3)7-12-10;1-8(2)10-6-4-5-9-7-13(3)12-11(9)10;1-8(2)10-6-4-5-9-7-12-13(3)11(9)10;1-7(2)9-5-4-6-10-11(9)8(3)12-13-10;1-4-9-8(7(2)3)5-6-10(11)12-9;1-7(2)8-5-4-6-9-10(8)13(3)12-11-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-8(2)9-5-6-10(11-7-9)12(3)4;1-8(2)9-6-5-7-11-10(9)12(3)4;1-7(2)10-6-5-8(3)11-9(10)4;1-4-10-9(8(2)3)6-5-7-11-10;1-6(2)8-5-4-7(3)11-9(8)10;1-7(2)8-6-11-12-9(8)4-3-5-10-12;1-5(2)6-3-4-7(10)11-8(6)9;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)8-4-9-7/h4-6,9H,7-8H2,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;2*3-9H,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;2*6-9H,3-5H2,1-2H3;5*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);5-7H,4H2,1-3H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);2*5-8H,1-4H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-5H,1-2H3;4-6H,1-3H3;4-5H,1-3H3
InChIKeyUMEWHALPNMEHLI-UHFFFAOYSA-N
XLogP67.83
TPSA411.08 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds29
Heavy Atoms304
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004127.35
LogP ≤ 567.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

Analyze 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-b]pyridazine with MolForge

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Related Compounds

2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 158594192
8-chloro-5-propan-2-ylisoquinoline;2,5-di(propan-2-yl)isoquinolin-1-one;8-fluoro-5-propan-2-ylquinoline;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;4-methyl-5-propan-2-ylisoquinoline;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;4-methyl-5-propan-2-ylquinoline;4-propan-2-yl-1H-indazole;bis(5-propan-2-ylisoquinoline);8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline
CID 159175642
1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;3-propan-2-ylpyrazolo[1,5-b]pyridazine;5-propan-2-ylquinoline;8-propan-2-ylquinoline
CID 161778501
2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-4-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;3-propan-2-ylpyrazolo[1,5-b]pyridazine
CID 162152260
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrrol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-phenylphenyl)methanone;cinnolin-4-yl-[(2S)-2-[6-methyl-5-[(5S)-5-methylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 162287423

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-b]pyridazine?
The IUPAC name of 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-b]pyridazine (CID 161131121) is 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-b]pyridazine.
What is the SMILES notation for 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-b]pyridazine?
The canonical SMILES for 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-b]pyridazine is CC(C)c1ccc(F)nc1Cl.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCCC2=O.CC(C)c1cccc2c1CCN(C)C2=O.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cn(C)nc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2cnn(C)c12.CC(C)c1cccc2ncn(C)c12.CC(C)c1cccc2nnn(C)c12.CC(C)c1cccnc1N(C)C.CC(C)c1ccnc2c1ccn2C.CC(C)c1ccnn1C.CC(C)c1cnn2ncccc12.CCc1nc(F)ccc1C(C)C.CCc1ncccc1C(C)C.Cc1[nH]nc2cccc(C(C)C)c12.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(F)n1.Cc1ncoc1C(C)C.
What is the InChIKey of 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-b]pyridazine?
The InChIKey is UMEWHALPNMEHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C13H16O.2C12H13N.3C12H16.6C11H14N2.C10H14FN.C10H13N3.C10H12N2.2C10H16N2.2C10H15N.C9H12FN.C9H11N3.C8H9ClFN.C7H12N2.C7H11NO/c1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-5-4-6-10-11(9)13(3)7-12-10;1-8(2)10-6-4-5-9-7-13(3)12-11(9)10;1-8(2)10-6-4-5-9-7-12-13(3)11(9)10;1-7(2)9-5-4-6-10-11(9)8(3)12-13-10;1-4-9-8(7(2)3)5-6-10(11)12-9;1-7(2)8-5-4-6-9-10(8)13(3)12-11-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-8(2)9-5-6-10(11-7-9)12(3)4;1-8(2)9-6-5-7-11-10(9)12(3)4;1-7(2)10-6-5-8(3)11-9(10)4;1-4-10-9(8(2)3)6-5-7-11-10;1-6(2)8-5-4-7(3)11-9(8)10;1-7(2)8-6-11-12-9(8)4-3-5-10-12;1-5(2)6-3-4-7(10)11-8(6)9;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)8-4-9-7/h4-6,9H,7-8H2,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;2*3-9H,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;2*6-9H,3-5H2,1-2H3;5*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);5-7H,4H2,1-3H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);2*5-8H,1-4H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-5H,1-2H3;4-6H,1-3H3;4-5H,1-3H3.
What are the key properties of 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-b]pyridazine?
2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-b]pyridazine has a molecular weight of 4127.35 g/mol, XLogP of 67.83, 29 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzimidazole;1-methyl-7-propan-2-ylbenzotriazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-b]pyridazine is sourced from PubChem (CID 161131121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).