4-(3,5-diethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;bis(N',N'-dimethyl-N-(4-propan-2-ylnaphthalen-2-yl)ethane-1,2-diamine);N,N-dimethyl-2-(4-propan-2-ylnaphthalen-1-yl)oxyethanamine;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;4-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;2-ethyl-3-propan-2-yl-1H-indole;1-phenyl-4-propan-2-ylpyrazole;4-(5-propan-2-ylnaphthalen-1-yl)morpholine;1-(4-propan-2-ylnaphthalen-2-yl)piperazine;1-(5-propan-2-ylnaphthalen-2-yl)piperazine

C195H257N27O2 — CID 159106008

IUPAC4-(3,5-diethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;bis(N',N'-dimethyl-N-(4-propan-2-ylnaphthalen-2-yl)ethane-1,2-diamine);N,N-dimethyl-2-(4-propan-2-ylnaphthalen-1-yl)oxyethanamine;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;4-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;2-ethyl-3-propan-2-yl-1H-indole;1-phenyl-4-propan-2-ylpyrazole;4-(5-propan-2-ylnaphthalen-1-yl)morpholine;1-(4-propan-2-ylnaphthalen-2-yl)piperazine;1-(5-propan-2-ylnaphthalen-2-yl)piperazine
SMILESCC(C)c1cc(N2CCNCC2)cc2ccccc12.CC(C)c1cc(NCCN(C)C)cc2ccccc12.CC(C)c1cc(NCCN(C)C)cc2ccccc12.CC(C)c1ccc(OCCN(C)C)c2ccccc12.CC(C)c1cccc2c(N3CCOCC3)cccc12.CC(C)c1cccc2cc(N3CCNCC3)ccc12.CC(C)c1cnn(-c2ccccc2)c1.CCc1[nH]c2ccccc2c1C(C)C.CCc1nn(-c2ccncc2)c(CC)c1C(C)C.Cc1nn(-c2ccccc2)c(C)c1C(C)C.Cc1nn(-c2ccccn2)c(C)c1C(C)C.Cc1nn(-c2cccnc2)c(C)c1C(C)C.Cc1nn(-c2ccncc2)c(C)c1C(C)C
InChIInChI=1S/2C17H22N2.2C17H24N2.C17H21NO.C17H23NO.C15H21N3.C14H18N2.3C13H17N3.C13H17N.C12H14N2/c1-13(2)16-5-3-4-14-12-15(6-7-17(14)16)19-10-8-18-9-11-19;1-13(2)17-12-15(19-9-7-18-8-10-19)11-14-5-3-4-6-16(14)17;2*1-13(2)17-12-15(18-9-10-19(3)4)11-14-7-5-6-8-16(14)17;1-13(2)14-5-3-7-16-15(14)6-4-8-17(16)18-9-11-19-12-10-18;1-13(2)14-9-10-17(19-12-11-18(3)4)16-8-6-5-7-15(14)16;1-5-13-15(11(3)4)14(6-2)18(17-13)12-7-9-16-10-8-12;1-10(2)14-11(3)15-16(12(14)4)13-8-6-5-7-9-13;1-9(2)13-10(3)15-16(11(13)4)12-5-7-14-8-6-12;1-9(2)13-10(3)15-16(11(13)4)12-6-5-7-14-8-12;1-9(2)13-10(3)15-16(11(13)4)12-7-5-6-8-14-12;1-4-11-13(9(2)3)10-7-5-6-8-12(10)14-11;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12/h3-7,12-13,18H,8-11H2,1-2H3;3-6,11-13,18H,7-10H2,1-2H3;2*5-8,11-13,18H,9-10H2,1-4H3;3-8,13H,9-12H2,1-2H3;5-10,13H,11-12H2,1-4H3;7-11H,5-6H2,1-4H3;5-10H,1-4H3;3*5-9H,1-4H3;5-9,14H,4H2,1-3H3;3-10H,1-2H3
InChIKeyKDWXQCJOSAVPCZ-UHFFFAOYSA-N
MW3011.39 g/mol
LogP45.32
Rot. Bonds37

About 4-(3,5-diethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;bis(N',N'-dimethyl-N-(4-propan-2-ylnaphthalen-2-yl)ethane-1,2-diamine);N,N-dimethyl-2-(4-propan-2-ylnaphthalen-1-yl)oxyethanamine;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;4-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;2-ethyl-3-propan-2-yl-1H-indole;1-phenyl-4-propan-2-ylpyrazole;4-(5-propan-2-ylnaphthalen-1-yl)morpholine;1-(4-propan-2-ylnaphthalen-2-yl)piperazine;1-(5-propan-2-ylnaphthalen-2-yl)piperazine

4-(3,5-diethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;bis(N',N'-dimethyl-N-(4-propan-2-ylnaphthalen-2-yl)ethane-1,2-diamine);N,N-dimethyl-2-(4-propan-2-ylnaphthalen-1-yl)oxyethanamine;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;4-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;2-ethyl-3-propan-2-yl-1H-indole;1-phenyl-4-propan-2-ylpyrazole;4-(5-propan-2-ylnaphthalen-1-yl)morpholine;1-(4-propan-2-ylnaphthalen-2-yl)piperazine;1-(5-propan-2-ylnaphthalen-2-yl)piperazine (PubChem CID 159106008) has the molecular formula C195H257N27O2 and a molecular weight of 3011.39 g/mol. Its IUPAC name is 4-(3,5-diethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;bis(N',N'-dimethyl-N-(4-propan-2-ylnaphthalen-2-yl)ethane-1,2-diamine);N,N-dimethyl-2-(4-propan-2-ylnaphthalen-1-yl)oxyethanamine;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;4-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;2-ethyl-3-propan-2-yl-1H-indole;1-phenyl-4-propan-2-ylpyrazole;4-(5-propan-2-ylnaphthalen-1-yl)morpholine;1-(4-propan-2-ylnaphthalen-2-yl)piperazine;1-(5-propan-2-ylnaphthalen-2-yl)piperazine.

Molecular Properties

Compound Name4-(3,5-diethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;bis(N',N'-dimethyl-N-(4-propan-2-ylnaphthalen-2-yl)ethane-1,2-diamine);N,N-dimethyl-2-(4-propan-2-ylnaphthalen-1-yl)oxyethanamine;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;4-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;2-ethyl-3-propan-2-yl-1H-indole;1-phenyl-4-propan-2-ylpyrazole;4-(5-propan-2-ylnaphthalen-1-yl)morpholine;1-(4-propan-2-ylnaphthalen-2-yl)piperazine;1-(5-propan-2-ylnaphthalen-2-yl)piperazine
PubChem CID159106008
Molecular FormulaC195H257N27O2
Molecular Weight3011.39 g/mol
Exact Mass3009.08
IUPAC Name4-(3,5-diethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;bis(N',N'-dimethyl-N-(4-propan-2-ylnaphthalen-2-yl)ethane-1,2-diamine);N,N-dimethyl-2-(4-propan-2-ylnaphthalen-1-yl)oxyethanamine;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;4-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;2-ethyl-3-propan-2-yl-1H-indole;1-phenyl-4-propan-2-ylpyrazole;4-(5-propan-2-ylnaphthalen-1-yl)morpholine;1-(4-propan-2-ylnaphthalen-2-yl)piperazine;1-(5-propan-2-ylnaphthalen-2-yl)piperazine
SMILESCC(C)c1cc(N2CCNCC2)cc2ccccc12.CC(C)c1cc(NCCN(C)C)cc2ccccc12.CC(C)c1cc(NCCN(C)C)cc2ccccc12.CC(C)c1ccc(OCCN(C)C)c2ccccc12.CC(C)c1cccc2c(N3CCOCC3)cccc12.CC(C)c1cccc2cc(N3CCNCC3)ccc12.CC(C)c1cnn(-c2ccccc2)c1.CCc1[nH]c2ccccc2c1C(C)C.CCc1nn(-c2ccncc2)c(CC)c1C(C)C.Cc1nn(-c2ccccc2)c(C)c1C(C)C.Cc1nn(-c2ccccn2)c(C)c1C(C)C.Cc1nn(-c2cccnc2)c(C)c1C(C)C.Cc1nn(-c2ccncc2)c(C)c1C(C)C
InChIInChI=1S/2C17H22N2.2C17H24N2.C17H21NO.C17H23NO.C15H21N3.C14H18N2.3C13H17N3.C13H17N.C12H14N2/c1-13(2)16-5-3-4-14-12-15(6-7-17(14)16)19-10-8-18-9-11-19;1-13(2)17-12-15(19-9-7-18-8-10-19)11-14-5-3-4-6-16(14)17;2*1-13(2)17-12-15(18-9-10-19(3)4)11-14-7-5-6-8-16(14)17;1-13(2)14-5-3-7-16-15(14)6-4-8-17(16)18-9-11-19-12-10-18;1-13(2)14-9-10-17(19-12-11-18(3)4)16-8-6-5-7-15(14)16;1-5-13-15(11(3)4)14(6-2)18(17-13)12-7-9-16-10-8-12;1-10(2)14-11(3)15-16(12(14)4)13-8-6-5-7-9-13;1-9(2)13-10(3)15-16(11(13)4)12-5-7-14-8-6-12;1-9(2)13-10(3)15-16(11(13)4)12-6-5-7-14-8-12;1-9(2)13-10(3)15-16(11(13)4)12-7-5-6-8-14-12;1-4-11-13(9(2)3)10-7-5-6-8-12(10)14-11;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12/h3-7,12-13,18H,8-11H2,1-2H3;3-6,11-13,18H,7-10H2,1-2H3;2*5-8,11-13,18H,9-10H2,1-4H3;3-8,13H,9-12H2,1-2H3;5-10,13H,11-12H2,1-4H3;7-11H,5-6H2,1-4H3;5-10H,1-4H3;3*5-9H,1-4H3;5-9,14H,4H2,1-3H3;3-10H,1-2H3
InChIKeyKDWXQCJOSAVPCZ-UHFFFAOYSA-N
XLogP45.32
TPSA260.29 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds37
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003011.39
LogP ≤ 545.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-(3,5-diethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;bis(N',N'-dimethyl-N-(4-propan-2-ylnaphthalen-2-yl)ethane-1,2-diamine);N,N-dimethyl-2-(4-propan-2-ylnaphthalen-1-yl)oxyethanamine;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;4-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;2-ethyl-3-propan-2-yl-1H-indole;1-phenyl-4-propan-2-ylpyrazole;4-(5-propan-2-ylnaphthalen-1-yl)morpholine;1-(4-propan-2-ylnaphthalen-2-yl)piperazine;1-(5-propan-2-ylnaphthalen-2-yl)piperazine with MolForge

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Related Compounds

N-[[5-[1-[1-[3-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenoxy]propyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137087283
N-[[5-[1-[1-[2-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenoxy]ethyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137088523
N-[5-[1-[[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-6-methyl-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenoxy]ethyl-methylamino]methyl]-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-indol-2-yl]pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137103195
1-[6-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-1H-indazol-5-yl]pyrazin-2-yl]azetidin-3-amine
CID 137115605
N-[3-[2-[1-[[2-[3-[2-[5-(5-amino-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenoxy]ethyl-methylamino]methyl]-5-pyrazin-2-ylpyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 145034002
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-1-methylpyrazolo[3,4-b]pyridine
CID 145245603
N-[[5-[1-[1-[3-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenyl]propyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 145249347
N-[5-[1-[[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1-methylpyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]-5-fluorophenoxy]ethyl-methylamino]methyl]-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-4-methyl-1,5-dihydroindol-2-yl]pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]cyclohexanecarboxamide
CID 145254931
2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2-(2,6-diethylphenyl)-3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3-difluoro-5-(trifluoromethyl)pyridine;hydrochloride
CID 157317367
4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157675277
CID 158045216
CID 158045216
4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-methylbenzimidazol-5-yl]pyrimidin-2-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-(1H-pyrazol-4-yl)benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-pyridin-4-ylbenzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-yl-4-(trifluoromethyl)-1H-benzimidazole
CID 158062262

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;bis(N',N'-dimethyl-N-(4-propan-2-ylnaphthalen-2-yl)ethane-1,2-diamine);N,N-dimethyl-2-(4-propan-2-ylnaphthalen-1-yl)oxyethanamine;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;4-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;2-ethyl-3-propan-2-yl-1H-indole;1-phenyl-4-propan-2-ylpyrazole;4-(5-propan-2-ylnaphthalen-1-yl)morpholine;1-(4-propan-2-ylnaphthalen-2-yl)piperazine;1-(5-propan-2-ylnaphthalen-2-yl)piperazine?
The IUPAC name of 4-(3,5-diethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;bis(N',N'-dimethyl-N-(4-propan-2-ylnaphthalen-2-yl)ethane-1,2-diamine);N,N-dimethyl-2-(4-propan-2-ylnaphthalen-1-yl)oxyethanamine;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;4-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;2-ethyl-3-propan-2-yl-1H-indole;1-phenyl-4-propan-2-ylpyrazole;4-(5-propan-2-ylnaphthalen-1-yl)morpholine;1-(4-propan-2-ylnaphthalen-2-yl)piperazine;1-(5-propan-2-ylnaphthalen-2-yl)piperazine (CID 159106008) is 4-(3,5-diethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;bis(N',N'-dimethyl-N-(4-propan-2-ylnaphthalen-2-yl)ethane-1,2-diamine);N,N-dimethyl-2-(4-propan-2-ylnaphthalen-1-yl)oxyethanamine;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;4-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;2-ethyl-3-propan-2-yl-1H-indole;1-phenyl-4-propan-2-ylpyrazole;4-(5-propan-2-ylnaphthalen-1-yl)morpholine;1-(4-propan-2-ylnaphthalen-2-yl)piperazine;1-(5-propan-2-ylnaphthalen-2-yl)piperazine.
What is the SMILES notation for 4-(3,5-diethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;bis(N',N'-dimethyl-N-(4-propan-2-ylnaphthalen-2-yl)ethane-1,2-diamine);N,N-dimethyl-2-(4-propan-2-ylnaphthalen-1-yl)oxyethanamine;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;4-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;2-ethyl-3-propan-2-yl-1H-indole;1-phenyl-4-propan-2-ylpyrazole;4-(5-propan-2-ylnaphthalen-1-yl)morpholine;1-(4-propan-2-ylnaphthalen-2-yl)piperazine;1-(5-propan-2-ylnaphthalen-2-yl)piperazine?
The canonical SMILES for 4-(3,5-diethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;bis(N',N'-dimethyl-N-(4-propan-2-ylnaphthalen-2-yl)ethane-1,2-diamine);N,N-dimethyl-2-(4-propan-2-ylnaphthalen-1-yl)oxyethanamine;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;4-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;2-ethyl-3-propan-2-yl-1H-indole;1-phenyl-4-propan-2-ylpyrazole;4-(5-propan-2-ylnaphthalen-1-yl)morpholine;1-(4-propan-2-ylnaphthalen-2-yl)piperazine;1-(5-propan-2-ylnaphthalen-2-yl)piperazine is CC(C)c1cc(N2CCNCC2)cc2ccccc12.CC(C)c1cc(NCCN(C)C)cc2ccccc12.CC(C)c1cc(NCCN(C)C)cc2ccccc12.CC(C)c1ccc(OCCN(C)C)c2ccccc12.CC(C)c1cccc2c(N3CCOCC3)cccc12.CC(C)c1cccc2cc(N3CCNCC3)ccc12.CC(C)c1cnn(-c2ccccc2)c1.CCc1[nH]c2ccccc2c1C(C)C.CCc1nn(-c2ccncc2)c(CC)c1C(C)C.Cc1nn(-c2ccccc2)c(C)c1C(C)C.Cc1nn(-c2ccccn2)c(C)c1C(C)C.Cc1nn(-c2cccnc2)c(C)c1C(C)C.Cc1nn(-c2ccncc2)c(C)c1C(C)C.
What is the InChIKey of 4-(3,5-diethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;bis(N',N'-dimethyl-N-(4-propan-2-ylnaphthalen-2-yl)ethane-1,2-diamine);N,N-dimethyl-2-(4-propan-2-ylnaphthalen-1-yl)oxyethanamine;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;4-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;2-ethyl-3-propan-2-yl-1H-indole;1-phenyl-4-propan-2-ylpyrazole;4-(5-propan-2-ylnaphthalen-1-yl)morpholine;1-(4-propan-2-ylnaphthalen-2-yl)piperazine;1-(5-propan-2-ylnaphthalen-2-yl)piperazine?
The InChIKey is KDWXQCJOSAVPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H22N2.2C17H24N2.C17H21NO.C17H23NO.C15H21N3.C14H18N2.3C13H17N3.C13H17N.C12H14N2/c1-13(2)16-5-3-4-14-12-15(6-7-17(14)16)19-10-8-18-9-11-19;1-13(2)17-12-15(19-9-7-18-8-10-19)11-14-5-3-4-6-16(14)17;2*1-13(2)17-12-15(18-9-10-19(3)4)11-14-7-5-6-8-16(14)17;1-13(2)14-5-3-7-16-15(14)6-4-8-17(16)18-9-11-19-12-10-18;1-13(2)14-9-10-17(19-12-11-18(3)4)16-8-6-5-7-15(14)16;1-5-13-15(11(3)4)14(6-2)18(17-13)12-7-9-16-10-8-12;1-10(2)14-11(3)15-16(12(14)4)13-8-6-5-7-9-13;1-9(2)13-10(3)15-16(11(13)4)12-5-7-14-8-6-12;1-9(2)13-10(3)15-16(11(13)4)12-6-5-7-14-8-12;1-9(2)13-10(3)15-16(11(13)4)12-7-5-6-8-14-12;1-4-11-13(9(2)3)10-7-5-6-8-12(10)14-11;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12/h3-7,12-13,18H,8-11H2,1-2H3;3-6,11-13,18H,7-10H2,1-2H3;2*5-8,11-13,18H,9-10H2,1-4H3;3-8,13H,9-12H2,1-2H3;5-10,13H,11-12H2,1-4H3;7-11H,5-6H2,1-4H3;5-10H,1-4H3;3*5-9H,1-4H3;5-9,14H,4H2,1-3H3;3-10H,1-2H3.
What are the key properties of 4-(3,5-diethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;bis(N',N'-dimethyl-N-(4-propan-2-ylnaphthalen-2-yl)ethane-1,2-diamine);N,N-dimethyl-2-(4-propan-2-ylnaphthalen-1-yl)oxyethanamine;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;4-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;2-ethyl-3-propan-2-yl-1H-indole;1-phenyl-4-propan-2-ylpyrazole;4-(5-propan-2-ylnaphthalen-1-yl)morpholine;1-(4-propan-2-ylnaphthalen-2-yl)piperazine;1-(5-propan-2-ylnaphthalen-2-yl)piperazine?
4-(3,5-diethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;bis(N',N'-dimethyl-N-(4-propan-2-ylnaphthalen-2-yl)ethane-1,2-diamine);N,N-dimethyl-2-(4-propan-2-ylnaphthalen-1-yl)oxyethanamine;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;4-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;2-ethyl-3-propan-2-yl-1H-indole;1-phenyl-4-propan-2-ylpyrazole;4-(5-propan-2-ylnaphthalen-1-yl)morpholine;1-(4-propan-2-ylnaphthalen-2-yl)piperazine;1-(5-propan-2-ylnaphthalen-2-yl)piperazine has a molecular weight of 3011.39 g/mol, XLogP of 45.32, 37 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;bis(N',N'-dimethyl-N-(4-propan-2-ylnaphthalen-2-yl)ethane-1,2-diamine);N,N-dimethyl-2-(4-propan-2-ylnaphthalen-1-yl)oxyethanamine;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;4-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;2-ethyl-3-propan-2-yl-1H-indole;1-phenyl-4-propan-2-ylpyrazole;4-(5-propan-2-ylnaphthalen-1-yl)morpholine;1-(4-propan-2-ylnaphthalen-2-yl)piperazine;1-(5-propan-2-ylnaphthalen-2-yl)piperazine is sourced from PubChem (CID 159106008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).