1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;2-methyl-N-phenylpropanamide;2-methyl-N-pyridin-4-ylpropanamide;2-phenyl-4-propan-2-ylpiperidine;2-piperidin-4-yl-5-propan-2-yl-1,3,4-oxadiazole;4-propan-2-ylcyclohex-3-en-1-ol;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-2,3,6,7-tetrahydro-1H-azepine;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine

C232H322Cl4F3N35O5 — CID 160695079

IUPAC1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;2-methyl-N-phenylpropanamide;2-methyl-N-pyridin-4-ylpropanamide;2-phenyl-4-propan-2-ylpiperidine;2-piperidin-4-yl-5-propan-2-yl-1,3,4-oxadiazole;4-propan-2-ylcyclohex-3-en-1-ol;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-2,3,6,7-tetrahydro-1H-azepine;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
SMILESCC(=O)Nc1ccc(C(C)C)cn1.CC(C)C(=O)Nc1ccccc1.CC(C)C(=O)Nc1ccncc1.CC(C)C1=CC(C(F)(F)F)NCC1.CC(C)C1=CCC(O)CC1.CC(C)C1=CCCNCC1.CC(C)C1CCNC(c2ccccc2)C1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cncn2c1.CC(C)c1cccc2ccncc12.CC(C)c1ccnc(Cl)c1.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12.CC(C)c1cnn(-c2ccc(Cl)cc2Cl)c1.CC(C)c1cnn(-c2ccccc2Cl)c1.CC(C)c1cnn(C2CCNCC2)c1.CC(C)c1cnn(C2CNC2)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1cnn2ccccc12.CC(C)c1nnc(C2CCNCC2)o1.CC1C=C(C(C)C)CC(C)N1.CCC1C=C(C(C)C)CCN1
InChIInChI=1S/C14H21N.C12H12Cl2N2.C12H13ClN2.C12H15N3.4C12H13N.C11H19N3.C10H17N3O.C10H14N2O.2C10H12N2.C10H13NO.2C10H19N.C9H14F3N.C9H15N3.C9H12N2O.C9H17N.C9H16O.C8H10ClN/c1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;1-8(2)9-6-15-16(7-9)12-4-3-10(13)5-11(12)14;1-9(2)10-7-14-15(8-10)12-6-4-3-5-11(12)13;1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)10-7-13-14(8-10)11-3-5-12-6-4-11;1-7(2)9-12-13-10(14-9)8-3-5-11-6-4-8;1-7(2)9-4-5-10(11-6-9)12-8(3)13;1-8(2)9-3-4-10-5-11-7-12(10)6-9;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)10(12)11-9-6-4-3-5-7-9;1-7(2)10-5-8(3)11-9(4)6-10;1-4-10-7-9(8(2)3)5-6-11-10;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)8-3-11-12(6-8)9-4-10-5-9;1-7(2)9(12)11-8-3-5-10-6-4-8;1-8(2)9-4-3-6-10-7-5-9;1-7(2)8-3-5-9(10)6-4-8;1-6(2)7-3-4-10-8(9)5-7/h3-7,11,13-15H,8-10H2,1-2H3;3-8H,1-2H3;3-9H,1-2H3;3-8,10H,9H2,1-2H3;4*3-9H,1-2H3;7-9,11-12H,3-6H2,1-2H3;7-8,11H,3-6H2,1-2H3;4-7H,1-3H3,(H,11,12,13);2*3-8H,1-2H3;3-8H,1-2H3,(H,11,12);5,7-9,11H,6H2,1-4H3;7-8,10-11H,4-6H2,1-3H3;5-6,8,13H,3-4H2,1-2H3;3,6-7,9-10H,4-5H2,1-2H3;3-7H,1-2H3,(H,10,11,12);4,8,10H,3,5-7H2,1-2H3;3,7,9-10H,4-6H2,1-2H3;3-6H,1-2H3
InChIKeyRPWUVEWZPYVDLU-UHFFFAOYSA-N
MW3880.17 g/mol
LogP57.09
Rot. Bonds34

About 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;2-methyl-N-phenylpropanamide;2-methyl-N-pyridin-4-ylpropanamide;2-phenyl-4-propan-2-ylpiperidine;2-piperidin-4-yl-5-propan-2-yl-1,3,4-oxadiazole;4-propan-2-ylcyclohex-3-en-1-ol;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-2,3,6,7-tetrahydro-1H-azepine;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine

1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;2-methyl-N-phenylpropanamide;2-methyl-N-pyridin-4-ylpropanamide;2-phenyl-4-propan-2-ylpiperidine;2-piperidin-4-yl-5-propan-2-yl-1,3,4-oxadiazole;4-propan-2-ylcyclohex-3-en-1-ol;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-2,3,6,7-tetrahydro-1H-azepine;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 160695079) has the molecular formula C232H322Cl4F3N35O5 and a molecular weight of 3880.17 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;2-methyl-N-phenylpropanamide;2-methyl-N-pyridin-4-ylpropanamide;2-phenyl-4-propan-2-ylpiperidine;2-piperidin-4-yl-5-propan-2-yl-1,3,4-oxadiazole;4-propan-2-ylcyclohex-3-en-1-ol;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-2,3,6,7-tetrahydro-1H-azepine;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;2-methyl-N-phenylpropanamide;2-methyl-N-pyridin-4-ylpropanamide;2-phenyl-4-propan-2-ylpiperidine;2-piperidin-4-yl-5-propan-2-yl-1,3,4-oxadiazole;4-propan-2-ylcyclohex-3-en-1-ol;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-2,3,6,7-tetrahydro-1H-azepine;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
PubChem CID160695079
Molecular FormulaC232H322Cl4F3N35O5
Molecular Weight3880.17 g/mol
Exact Mass3875.47
IUPAC Name1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;2-methyl-N-phenylpropanamide;2-methyl-N-pyridin-4-ylpropanamide;2-phenyl-4-propan-2-ylpiperidine;2-piperidin-4-yl-5-propan-2-yl-1,3,4-oxadiazole;4-propan-2-ylcyclohex-3-en-1-ol;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-2,3,6,7-tetrahydro-1H-azepine;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
SMILESCC(=O)Nc1ccc(C(C)C)cn1.CC(C)C(=O)Nc1ccccc1.CC(C)C(=O)Nc1ccncc1.CC(C)C1=CC(C(F)(F)F)NCC1.CC(C)C1=CCC(O)CC1.CC(C)C1=CCCNCC1.CC(C)C1CCNC(c2ccccc2)C1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cncn2c1.CC(C)c1cccc2ccncc12.CC(C)c1ccnc(Cl)c1.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12.CC(C)c1cnn(-c2ccc(Cl)cc2Cl)c1.CC(C)c1cnn(-c2ccccc2Cl)c1.CC(C)c1cnn(C2CCNCC2)c1.CC(C)c1cnn(C2CNC2)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1cnn2ccccc12.CC(C)c1nnc(C2CCNCC2)o1.CC1C=C(C(C)C)CC(C)N1.CCC1C=C(C(C)C)CCN1
InChIInChI=1S/C14H21N.C12H12Cl2N2.C12H13ClN2.C12H15N3.4C12H13N.C11H19N3.C10H17N3O.C10H14N2O.2C10H12N2.C10H13NO.2C10H19N.C9H14F3N.C9H15N3.C9H12N2O.C9H17N.C9H16O.C8H10ClN/c1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;1-8(2)9-6-15-16(7-9)12-4-3-10(13)5-11(12)14;1-9(2)10-7-14-15(8-10)12-6-4-3-5-11(12)13;1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)10-7-13-14(8-10)11-3-5-12-6-4-11;1-7(2)9-12-13-10(14-9)8-3-5-11-6-4-8;1-7(2)9-4-5-10(11-6-9)12-8(3)13;1-8(2)9-3-4-10-5-11-7-12(10)6-9;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)10(12)11-9-6-4-3-5-7-9;1-7(2)10-5-8(3)11-9(4)6-10;1-4-10-7-9(8(2)3)5-6-11-10;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)8-3-11-12(6-8)9-4-10-5-9;1-7(2)9(12)11-8-3-5-10-6-4-8;1-8(2)9-4-3-6-10-7-5-9;1-7(2)8-3-5-9(10)6-4-8;1-6(2)7-3-4-10-8(9)5-7/h3-7,11,13-15H,8-10H2,1-2H3;3-8H,1-2H3;3-9H,1-2H3;3-8,10H,9H2,1-2H3;4*3-9H,1-2H3;7-9,11-12H,3-6H2,1-2H3;7-8,11H,3-6H2,1-2H3;4-7H,1-3H3,(H,11,12,13);2*3-8H,1-2H3;3-8H,1-2H3,(H,11,12);5,7-9,11H,6H2,1-4H3;7-8,10-11H,4-6H2,1-3H3;5-6,8,13H,3-4H2,1-2H3;3,6-7,9-10H,4-5H2,1-2H3;3-7H,1-2H3,(H,10,11,12);4,8,10H,3,5-7H2,1-2H3;3,7,9-10H,4-6H2,1-2H3;3-6H,1-2H3
InChIKeyRPWUVEWZPYVDLU-UHFFFAOYSA-N
XLogP57.09
TPSA469.51 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds34
Heavy Atoms279
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003880.17
LogP ≤ 557.09
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;2-methyl-N-phenylpropanamide;2-methyl-N-pyridin-4-ylpropanamide;2-phenyl-4-propan-2-ylpiperidine;2-piperidin-4-yl-5-propan-2-yl-1,3,4-oxadiazole;4-propan-2-ylcyclohex-3-en-1-ol;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-2,3,6,7-tetrahydro-1H-azepine;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine with MolForge

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Related Compounds

1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylcyclohexene;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;4-methyl-1-propan-2-ylcyclohexene;1-propan-2-ylcycloheptene;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 157476195
1-(2-chlorophenyl)-4-propan-2-ylpyrazole;1-cyclobutyl-4-propan-2-ylpyrazole;2-cyclohexyl-5-propan-2-yl-1,3,4-oxadiazole;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylcyclohexene;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;2-methyl-N-phenylpropanamide;4-methyl-1-propan-2-ylcyclohexene;2-methyl-4-propan-2-ylpyridine;2-methyl-N-pyridin-4-ylpropanamide;2-phenyl-4-propan-2-ylpiperidine;1-propan-2-ylcycloheptene;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 159281142
1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-cyclohexyl-5-propan-2-yl-1,3,4-oxadiazole;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylcyclohexene;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;bis(2-methyl-N-phenylpropanamide);4-methyl-1-propan-2-ylcyclohexene;2-methyl-4-propan-2-ylpyridine;2-phenyl-4-propan-2-ylpiperidine;1-propan-2-ylcycloheptene;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 159518652
1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-cyclobutyl-4-propan-2-ylpyrazole;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;6-(1,1-difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine;3,5-dimethyl-1-propan-2-ylcyclohexene;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;bis(2-methyl-N-phenylpropanamide);4-methyl-1-propan-2-ylcyclohexene;2-phenyl-4-propan-2-ylpiperidine;2-piperidin-4-yl-5-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylcycloheptene;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline
CID 161100126

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;2-methyl-N-phenylpropanamide;2-methyl-N-pyridin-4-ylpropanamide;2-phenyl-4-propan-2-ylpiperidine;2-piperidin-4-yl-5-propan-2-yl-1,3,4-oxadiazole;4-propan-2-ylcyclohex-3-en-1-ol;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-2,3,6,7-tetrahydro-1H-azepine;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;2-methyl-N-phenylpropanamide;2-methyl-N-pyridin-4-ylpropanamide;2-phenyl-4-propan-2-ylpiperidine;2-piperidin-4-yl-5-propan-2-yl-1,3,4-oxadiazole;4-propan-2-ylcyclohex-3-en-1-ol;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-2,3,6,7-tetrahydro-1H-azepine;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine (CID 160695079) is 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;2-methyl-N-phenylpropanamide;2-methyl-N-pyridin-4-ylpropanamide;2-phenyl-4-propan-2-ylpiperidine;2-piperidin-4-yl-5-propan-2-yl-1,3,4-oxadiazole;4-propan-2-ylcyclohex-3-en-1-ol;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-2,3,6,7-tetrahydro-1H-azepine;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;2-methyl-N-phenylpropanamide;2-methyl-N-pyridin-4-ylpropanamide;2-phenyl-4-propan-2-ylpiperidine;2-piperidin-4-yl-5-propan-2-yl-1,3,4-oxadiazole;4-propan-2-ylcyclohex-3-en-1-ol;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-2,3,6,7-tetrahydro-1H-azepine;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;2-methyl-N-phenylpropanamide;2-methyl-N-pyridin-4-ylpropanamide;2-phenyl-4-propan-2-ylpiperidine;2-piperidin-4-yl-5-propan-2-yl-1,3,4-oxadiazole;4-propan-2-ylcyclohex-3-en-1-ol;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-2,3,6,7-tetrahydro-1H-azepine;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine is CC(=O)Nc1ccc(C(C)C)cn1.CC(C)C(=O)Nc1ccccc1.CC(C)C(=O)Nc1ccncc1.CC(C)C1=CC(C(F)(F)F)NCC1.CC(C)C1=CCC(O)CC1.CC(C)C1=CCCNCC1.CC(C)C1CCNC(c2ccccc2)C1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cncn2c1.CC(C)c1cccc2ccncc12.CC(C)c1ccnc(Cl)c1.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12.CC(C)c1cnn(-c2ccc(Cl)cc2Cl)c1.CC(C)c1cnn(-c2ccccc2Cl)c1.CC(C)c1cnn(C2CCNCC2)c1.CC(C)c1cnn(C2CNC2)c1.CC(C)c1cnn(Cc2ccccn2)c1.CC(C)c1cnn2ccccc12.CC(C)c1nnc(C2CCNCC2)o1.CC1C=C(C(C)C)CC(C)N1.CCC1C=C(C(C)C)CCN1.
What is the InChIKey of 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;2-methyl-N-phenylpropanamide;2-methyl-N-pyridin-4-ylpropanamide;2-phenyl-4-propan-2-ylpiperidine;2-piperidin-4-yl-5-propan-2-yl-1,3,4-oxadiazole;4-propan-2-ylcyclohex-3-en-1-ol;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-2,3,6,7-tetrahydro-1H-azepine;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is RPWUVEWZPYVDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C12H12Cl2N2.C12H13ClN2.C12H15N3.4C12H13N.C11H19N3.C10H17N3O.C10H14N2O.2C10H12N2.C10H13NO.2C10H19N.C9H14F3N.C9H15N3.C9H12N2O.C9H17N.C9H16O.C8H10ClN/c1-11(2)13-8-9-15-14(10-13)12-6-4-3-5-7-12;1-8(2)9-6-15-16(7-9)12-4-3-10(13)5-11(12)14;1-9(2)10-7-14-15(8-10)12-6-4-3-5-11(12)13;1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)10-7-13-14(8-10)11-3-5-12-6-4-11;1-7(2)9-12-13-10(14-9)8-3-5-11-6-4-8;1-7(2)9-4-5-10(11-6-9)12-8(3)13;1-8(2)9-3-4-10-5-11-7-12(10)6-9;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)10(12)11-9-6-4-3-5-7-9;1-7(2)10-5-8(3)11-9(4)6-10;1-4-10-7-9(8(2)3)5-6-11-10;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)8-3-11-12(6-8)9-4-10-5-9;1-7(2)9(12)11-8-3-5-10-6-4-8;1-8(2)9-4-3-6-10-7-5-9;1-7(2)8-3-5-9(10)6-4-8;1-6(2)7-3-4-10-8(9)5-7/h3-7,11,13-15H,8-10H2,1-2H3;3-8H,1-2H3;3-9H,1-2H3;3-8,10H,9H2,1-2H3;4*3-9H,1-2H3;7-9,11-12H,3-6H2,1-2H3;7-8,11H,3-6H2,1-2H3;4-7H,1-3H3,(H,11,12,13);2*3-8H,1-2H3;3-8H,1-2H3,(H,11,12);5,7-9,11H,6H2,1-4H3;7-8,10-11H,4-6H2,1-3H3;5-6,8,13H,3-4H2,1-2H3;3,6-7,9-10H,4-5H2,1-2H3;3-7H,1-2H3,(H,10,11,12);4,8,10H,3,5-7H2,1-2H3;3,7,9-10H,4-6H2,1-2H3;3-6H,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;2-methyl-N-phenylpropanamide;2-methyl-N-pyridin-4-ylpropanamide;2-phenyl-4-propan-2-ylpiperidine;2-piperidin-4-yl-5-propan-2-yl-1,3,4-oxadiazole;4-propan-2-ylcyclohex-3-en-1-ol;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-2,3,6,7-tetrahydro-1H-azepine;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine?
1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;2-methyl-N-phenylpropanamide;2-methyl-N-pyridin-4-ylpropanamide;2-phenyl-4-propan-2-ylpiperidine;2-piperidin-4-yl-5-propan-2-yl-1,3,4-oxadiazole;4-propan-2-ylcyclohex-3-en-1-ol;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-2,3,6,7-tetrahydro-1H-azepine;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 3880.17 g/mol, XLogP of 57.09, 34 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;2-methyl-N-phenylpropanamide;2-methyl-N-pyridin-4-ylpropanamide;2-phenyl-4-propan-2-ylpiperidine;2-piperidin-4-yl-5-propan-2-yl-1,3,4-oxadiazole;4-propan-2-ylcyclohex-3-en-1-ol;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)piperidine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-2,3,6,7-tetrahydro-1H-azepine;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 160695079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).