1,2-dimethyl-5-propan-2-ylbenzimidazole;1,3-dimethyl-6-propan-2-ylindazole;1,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-yl-3-pyridin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylindazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-4-(4-propan-2-yl-2-pyridinyl)piperazine;4-(4-propan-2-yl-2-pyridinyl)morpholine

C166H221N31O — CID 158825186

IUPAC1,2-dimethyl-5-propan-2-ylbenzimidazole;1,3-dimethyl-6-propan-2-ylindazole;1,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-yl-3-pyridin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylindazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-4-(4-propan-2-yl-2-pyridinyl)piperazine;4-(4-propan-2-yl-2-pyridinyl)morpholine
SMILESCC(C)N1CCc2ccccc2C1.CC(C)c1ccc2c(c1)c(-c1ccccn1)nn2C.CC(C)c1ccc2c(c1)c(-c1cccnc1)nn2C.CC(C)c1ccc2c(c1)nnn2C.CC(C)c1ccnc(N2CCN(C(C)C)CC2)c1.CC(C)c1ccnc(N2CCN(C)CC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CCN1CCN(c2cc(C(C)C)ccn2)CC1.Cc1cc(-c2cc(C(C)C)ccn2)cc2cn(C)nc12.Cc1cc(-c2cc(C(C)C)ccn2)cc2cnn(C)c12.Cc1nc2cc(C(C)C)ccc2n1C.Cc1nn(C)c2cc(C(C)C)ccc12
InChIInChI=1S/2C17H19N3.2C16H17N3.C15H25N3.C14H23N3.C13H21N3.C12H18N2O.2C12H16N2.C12H17N.C10H13N3/c1-11(2)13-5-6-18-16(9-13)14-7-12(3)17-15(8-14)10-20(4)19-17;1-11(2)13-5-6-18-16(9-13)14-7-12(3)17-15(8-14)10-19-20(17)4;1-11(2)12-6-7-15-14(9-12)16(18-19(15)3)13-5-4-8-17-10-13;1-11(2)12-7-8-15-13(10-12)16(18-19(15)3)14-6-4-5-9-17-14;1-12(2)14-5-6-16-15(11-14)18-9-7-17(8-10-18)13(3)4;1-4-16-7-9-17(10-8-16)14-11-13(12(2)3)5-6-15-14;1-11(2)12-4-5-14-13(10-12)16-8-6-15(3)7-9-16;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-8(2)10-5-6-12-11(7-10)13-9(3)14(12)4;1-8(2)10-5-6-11-9(3)13-14(4)12(11)7-10;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-7(2)8-4-5-10-9(6-8)11-12-13(10)3/h2*5-11H,1-4H3;2*4-11H,1-3H3;5-6,11-13H,7-10H2,1-4H3;5-6,11-12H,4,7-10H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;2*5-8H,1-4H3;3-6,10H,7-9H2,1-2H3;4-7H,1-3H3
InChIKeyIWJDXDRPHCGLIZ-UHFFFAOYSA-N
MW2666.81 g/mol
LogP35.29
Rot. Bonds22

About 1,2-dimethyl-5-propan-2-ylbenzimidazole;1,3-dimethyl-6-propan-2-ylindazole;1,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-yl-3-pyridin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylindazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-4-(4-propan-2-yl-2-pyridinyl)piperazine;4-(4-propan-2-yl-2-pyridinyl)morpholine

1,2-dimethyl-5-propan-2-ylbenzimidazole;1,3-dimethyl-6-propan-2-ylindazole;1,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-yl-3-pyridin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylindazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-4-(4-propan-2-yl-2-pyridinyl)piperazine;4-(4-propan-2-yl-2-pyridinyl)morpholine (PubChem CID 158825186) has the molecular formula C166H221N31O and a molecular weight of 2666.81 g/mol. Its IUPAC name is 1,2-dimethyl-5-propan-2-ylbenzimidazole;1,3-dimethyl-6-propan-2-ylindazole;1,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-yl-3-pyridin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylindazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-4-(4-propan-2-yl-2-pyridinyl)piperazine;4-(4-propan-2-yl-2-pyridinyl)morpholine.

Molecular Properties

Compound Name1,2-dimethyl-5-propan-2-ylbenzimidazole;1,3-dimethyl-6-propan-2-ylindazole;1,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-yl-3-pyridin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylindazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-4-(4-propan-2-yl-2-pyridinyl)piperazine;4-(4-propan-2-yl-2-pyridinyl)morpholine
PubChem CID158825186
Molecular FormulaC166H221N31O
Molecular Weight2666.81 g/mol
Exact Mass2664.82
IUPAC Name1,2-dimethyl-5-propan-2-ylbenzimidazole;1,3-dimethyl-6-propan-2-ylindazole;1,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-yl-3-pyridin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylindazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-4-(4-propan-2-yl-2-pyridinyl)piperazine;4-(4-propan-2-yl-2-pyridinyl)morpholine
SMILESCC(C)N1CCc2ccccc2C1.CC(C)c1ccc2c(c1)c(-c1ccccn1)nn2C.CC(C)c1ccc2c(c1)c(-c1cccnc1)nn2C.CC(C)c1ccc2c(c1)nnn2C.CC(C)c1ccnc(N2CCN(C(C)C)CC2)c1.CC(C)c1ccnc(N2CCN(C)CC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CCN1CCN(c2cc(C(C)C)ccn2)CC1.Cc1cc(-c2cc(C(C)C)ccn2)cc2cn(C)nc12.Cc1cc(-c2cc(C(C)C)ccn2)cc2cnn(C)c12.Cc1nc2cc(C(C)C)ccc2n1C.Cc1nn(C)c2cc(C(C)C)ccc12
InChIInChI=1S/2C17H19N3.2C16H17N3.C15H25N3.C14H23N3.C13H21N3.C12H18N2O.2C12H16N2.C12H17N.C10H13N3/c1-11(2)13-5-6-18-16(9-13)14-7-12(3)17-15(8-14)10-20(4)19-17;1-11(2)13-5-6-18-16(9-13)14-7-12(3)17-15(8-14)10-19-20(17)4;1-11(2)12-6-7-15-14(9-12)16(18-19(15)3)13-5-4-8-17-10-13;1-11(2)12-7-8-15-13(10-12)16(18-19(15)3)14-6-4-5-9-17-14;1-12(2)14-5-6-16-15(11-14)18-9-7-17(8-10-18)13(3)4;1-4-16-7-9-17(10-8-16)14-11-13(12(2)3)5-6-15-14;1-11(2)12-4-5-14-13(10-12)16-8-6-15(3)7-9-16;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-8(2)10-5-6-12-11(7-10)13-9(3)14(12)4;1-8(2)10-5-6-11-9(3)13-14(4)12(11)7-10;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-7(2)8-4-5-10-9(6-8)11-12-13(10)3/h2*5-11H,1-4H3;2*4-11H,1-3H3;5-6,11-13H,7-10H2,1-4H3;5-6,11-12H,4,7-10H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;2*5-8H,1-4H3;3-6,10H,7-9H2,1-2H3;4-7H,1-3H3
InChIKeyIWJDXDRPHCGLIZ-UHFFFAOYSA-N
XLogP35.29
TPSA275.90 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds22
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002666.81
LogP ≤ 535.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 1,2-dimethyl-5-propan-2-ylbenzimidazole;1,3-dimethyl-6-propan-2-ylindazole;1,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-yl-3-pyridin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylindazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-4-(4-propan-2-yl-2-pyridinyl)piperazine;4-(4-propan-2-yl-2-pyridinyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]ethyl]-2-ethyl-N-(2-methoxyethyl)-N-methylquinolin-4-amine
CID 156303996
12-[2-[7,8-Diethyl-7-methyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]ethyl]-16-methyl-4,9,16-triaza-11-azoniahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 123631446
12-[2-[7,8-Diethyl-7-methyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]ethyl]-22-ethyl-6,9,22-triaza-11-azoniahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 123704958
2-[2-[6-[2-[2-[6-[2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-fluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-7,8-dimethylquinoline
CID 124036193
2-methyl-N-[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-7-[1-methyl-6-[2-morpholin-4-yl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]anilino]pyrimidin-4-yl]indazol-3-yl]indazol-5-amine
CID 129022756
3-Fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
CID 137391920
3-[2-[[5-(3-cyclopropyl-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 139570970
1-[6-[[1-[5-[[7-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3,5-dimethyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 154970495
9-[[4-[4-(Azetidin-1-yl)-1-methylimidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;bis(9-[[4-(3,5-dimethylpyrazol-1-yl)cyclohexyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one);methane;7-methyl-9-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one
CID 157096663
3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridine;2-tert-butyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;N,N-dimethyl-3,7-bis(3-methyl-4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridin-2-amine;N,N-dimethyl-3,7-bis[4-phenyl-3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-amine;2-methoxy-3,7-bis(4-phenylphenyl)imidazo[4,5-b]pyridine
CID 157116100
9-[4-(2,6-Difluorophenyl)-2-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-methylphenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[5-(2,6-difluorophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-methylphenyl]-2-pyrimidin-2-yl-7-(1,3,5-triazin-2-yl)carbazole;9-[4-(2,6-difluorophenyl)-2-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole;9-[4-(2,6-difluorophenyl)-2-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-pyrimidin-2-ylcarbazole;methane
CID 157194823
3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 157312835

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-propan-2-ylbenzimidazole;1,3-dimethyl-6-propan-2-ylindazole;1,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-yl-3-pyridin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylindazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-4-(4-propan-2-yl-2-pyridinyl)piperazine;4-(4-propan-2-yl-2-pyridinyl)morpholine?
The IUPAC name of 1,2-dimethyl-5-propan-2-ylbenzimidazole;1,3-dimethyl-6-propan-2-ylindazole;1,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-yl-3-pyridin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylindazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-4-(4-propan-2-yl-2-pyridinyl)piperazine;4-(4-propan-2-yl-2-pyridinyl)morpholine (CID 158825186) is 1,2-dimethyl-5-propan-2-ylbenzimidazole;1,3-dimethyl-6-propan-2-ylindazole;1,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-yl-3-pyridin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylindazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-4-(4-propan-2-yl-2-pyridinyl)piperazine;4-(4-propan-2-yl-2-pyridinyl)morpholine.
What is the SMILES notation for 1,2-dimethyl-5-propan-2-ylbenzimidazole;1,3-dimethyl-6-propan-2-ylindazole;1,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-yl-3-pyridin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylindazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-4-(4-propan-2-yl-2-pyridinyl)piperazine;4-(4-propan-2-yl-2-pyridinyl)morpholine?
The canonical SMILES for 1,2-dimethyl-5-propan-2-ylbenzimidazole;1,3-dimethyl-6-propan-2-ylindazole;1,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-yl-3-pyridin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylindazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-4-(4-propan-2-yl-2-pyridinyl)piperazine;4-(4-propan-2-yl-2-pyridinyl)morpholine is CC(C)N1CCc2ccccc2C1.CC(C)c1ccc2c(c1)c(-c1ccccn1)nn2C.CC(C)c1ccc2c(c1)c(-c1cccnc1)nn2C.CC(C)c1ccc2c(c1)nnn2C.CC(C)c1ccnc(N2CCN(C(C)C)CC2)c1.CC(C)c1ccnc(N2CCN(C)CC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CCN1CCN(c2cc(C(C)C)ccn2)CC1.Cc1cc(-c2cc(C(C)C)ccn2)cc2cn(C)nc12.Cc1cc(-c2cc(C(C)C)ccn2)cc2cnn(C)c12.Cc1nc2cc(C(C)C)ccc2n1C.Cc1nn(C)c2cc(C(C)C)ccc12.
What is the InChIKey of 1,2-dimethyl-5-propan-2-ylbenzimidazole;1,3-dimethyl-6-propan-2-ylindazole;1,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-yl-3-pyridin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylindazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-4-(4-propan-2-yl-2-pyridinyl)piperazine;4-(4-propan-2-yl-2-pyridinyl)morpholine?
The InChIKey is IWJDXDRPHCGLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H19N3.2C16H17N3.C15H25N3.C14H23N3.C13H21N3.C12H18N2O.2C12H16N2.C12H17N.C10H13N3/c1-11(2)13-5-6-18-16(9-13)14-7-12(3)17-15(8-14)10-20(4)19-17;1-11(2)13-5-6-18-16(9-13)14-7-12(3)17-15(8-14)10-19-20(17)4;1-11(2)12-6-7-15-14(9-12)16(18-19(15)3)13-5-4-8-17-10-13;1-11(2)12-7-8-15-13(10-12)16(18-19(15)3)14-6-4-5-9-17-14;1-12(2)14-5-6-16-15(11-14)18-9-7-17(8-10-18)13(3)4;1-4-16-7-9-17(10-8-16)14-11-13(12(2)3)5-6-15-14;1-11(2)12-4-5-14-13(10-12)16-8-6-15(3)7-9-16;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-8(2)10-5-6-12-11(7-10)13-9(3)14(12)4;1-8(2)10-5-6-11-9(3)13-14(4)12(11)7-10;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-7(2)8-4-5-10-9(6-8)11-12-13(10)3/h2*5-11H,1-4H3;2*4-11H,1-3H3;5-6,11-13H,7-10H2,1-4H3;5-6,11-12H,4,7-10H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;2*5-8H,1-4H3;3-6,10H,7-9H2,1-2H3;4-7H,1-3H3.
What are the key properties of 1,2-dimethyl-5-propan-2-ylbenzimidazole;1,3-dimethyl-6-propan-2-ylindazole;1,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-yl-3-pyridin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylindazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-4-(4-propan-2-yl-2-pyridinyl)piperazine;4-(4-propan-2-yl-2-pyridinyl)morpholine?
1,2-dimethyl-5-propan-2-ylbenzimidazole;1,3-dimethyl-6-propan-2-ylindazole;1,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-yl-3-pyridin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylindazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-4-(4-propan-2-yl-2-pyridinyl)piperazine;4-(4-propan-2-yl-2-pyridinyl)morpholine has a molecular weight of 2666.81 g/mol, XLogP of 35.29, 22 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-propan-2-ylbenzimidazole;1,3-dimethyl-6-propan-2-ylindazole;1,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2,7-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-5-propan-2-yl-3-pyridin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylindazole;1-methyl-4-(4-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-4-(4-propan-2-yl-2-pyridinyl)piperazine;4-(4-propan-2-yl-2-pyridinyl)morpholine is sourced from PubChem (CID 158825186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).