2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;N-(4-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine

C145H193N35O4S — CID 157355663

IUPAC2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;N-(4-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
SMILESCC(C)(C)c1nc(-c2cc[nH]c2)c2[nH]cnc2n1.CC(C)(C)c1nc(NC(=O)C2CCNCC2)nc2c1CC=N2.CC(C)(C)c1nc(NC(=O)N2CCCC2)nc2ccccc12.CC(C)(C)c1nc2ccccc2nc1C(=O)N1CCNCC1.CC(C)(C)c1nc2ccccc2nc1SCc1ccccc1.CC(C)(C)c1ncc(CCNC2CCNC2)c2ncccc12.CC(C)(C)c1nccc2ccc(CC(=O)N3CCNCC3)cc12.CC(C)(C)c1ncnc2c1CCCN2.CC(C)(C)c1ncnc2c1ncn2CC1CCCNC1
InChIInChI=1S/C19H25N3O.C19H20N2S.C18H26N4.2C17H22N4O.C16H23N5O.C15H23N5.C13H15N5.C11H17N3/c1-19(2,3)18-16-12-14(4-5-15(16)6-7-21-18)13-17(23)22-10-8-20-9-11-22;1-19(2,3)17-18(22-13-14-9-5-4-6-10-14)21-16-12-8-7-11-15(16)20-17;1-18(2,3)17-15-5-4-8-21-16(15)13(11-22-17)6-10-20-14-7-9-19-12-14;1-17(2,3)14-12-8-4-5-9-13(12)18-15(19-14)20-16(22)21-10-6-7-11-21;1-17(2,3)15-14(16(22)21-10-8-18-9-11-21)19-12-6-4-5-7-13(12)20-15;1-16(2,3)12-11-6-9-18-13(11)20-15(19-12)21-14(22)10-4-7-17-8-5-10;1-15(2,3)13-12-14(18-9-17-13)20(10-19-12)8-11-5-4-6-16-7-11;1-13(2,3)12-17-9(8-4-5-14-6-8)10-11(18-12)16-7-15-10;1-11(2,3)9-8-5-4-6-12-10(8)14-7-13-9/h4-7,12,20H,8-11,13H2,1-3H3;4-12H,13H2,1-3H3;4-5,8,11,14,19-20H,6-7,9-10,12H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3,(H,18,19,20,22);4-7,18H,8-11H2,1-3H3;9-10,17H,4-8H2,1-3H3,(H,19,20,21,22);9-11,16H,4-8H2,1-3H3;4-7,14H,1-3H3,(H,15,16,17,18);7H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyBIBABXTWDCQRKB-UHFFFAOYSA-N
MW2522.45 g/mol
LogP24.55
Rot. Bonds16

About 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;N-(4-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine

2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;N-(4-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine (PubChem CID 157355663) has the molecular formula C145H193N35O4S and a molecular weight of 2522.45 g/mol. Its IUPAC name is 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;N-(4-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;N-(4-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
PubChem CID157355663
Molecular FormulaC145H193N35O4S
Molecular Weight2522.45 g/mol
Exact Mass2520.57
IUPAC Name2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;N-(4-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
SMILESCC(C)(C)c1nc(-c2cc[nH]c2)c2[nH]cnc2n1.CC(C)(C)c1nc(NC(=O)C2CCNCC2)nc2c1CC=N2.CC(C)(C)c1nc(NC(=O)N2CCCC2)nc2ccccc12.CC(C)(C)c1nc2ccccc2nc1C(=O)N1CCNCC1.CC(C)(C)c1nc2ccccc2nc1SCc1ccccc1.CC(C)(C)c1ncc(CCNC2CCNC2)c2ncccc12.CC(C)(C)c1nccc2ccc(CC(=O)N3CCNCC3)cc12.CC(C)(C)c1ncnc2c1CCCN2.CC(C)(C)c1ncnc2c1ncn2CC1CCCNC1
InChIInChI=1S/C19H25N3O.C19H20N2S.C18H26N4.2C17H22N4O.C16H23N5O.C15H23N5.C13H15N5.C11H17N3/c1-19(2,3)18-16-12-14(4-5-15(16)6-7-21-18)13-17(23)22-10-8-20-9-11-22;1-19(2,3)17-18(22-13-14-9-5-4-6-10-14)21-16-12-8-7-11-15(16)20-17;1-18(2,3)17-15-5-4-8-21-16(15)13(11-22-17)6-10-20-14-7-9-19-12-14;1-17(2,3)14-12-8-4-5-9-13(12)18-15(19-14)20-16(22)21-10-6-7-11-21;1-17(2,3)15-14(16(22)21-10-8-18-9-11-21)19-12-6-4-5-7-13(12)20-15;1-16(2,3)12-11-6-9-18-13(11)20-15(19-12)21-14(22)10-4-7-17-8-5-10;1-15(2,3)13-12-14(18-9-17-13)20(10-19-12)8-11-5-4-6-16-7-11;1-13(2,3)12-17-9(8-4-5-14-6-8)10-11(18-12)16-7-15-10;1-11(2,3)9-8-5-4-6-12-10(8)14-7-13-9/h4-7,12,20H,8-11,13H2,1-3H3;4-12H,13H2,1-3H3;4-5,8,11,14,19-20H,6-7,9-10,12H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3,(H,18,19,20,22);4-7,18H,8-11H2,1-3H3;9-10,17H,4-8H2,1-3H3,(H,19,20,21,22);9-11,16H,4-8H2,1-3H3;4-7,14H,1-3H3,(H,15,16,17,18);7H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyBIBABXTWDCQRKB-UHFFFAOYSA-N
XLogP24.55
TPSA480.05 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds16
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002522.45
LogP ≤ 524.55
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Analyze 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;N-(4-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine with MolForge

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Related Compounds

PNAtar-penetratin
CID 16134044
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158792541
3-[3-(1,1-difluoroethyl)phenyl]-N-pyridin-2-ylquinoxaline-5-carboxamide;3-[3-(1,1-difluoroethyl)phenyl]-N-pyridin-3-ylquinoxaline-5-carboxamide;3-[3-(1,1-difluoroethyl)phenyl]-N-pyrimidin-4-ylquinoxaline-5-carboxamide;N-[2-[3-[(dimethylamino)methyl]phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;bis(N-[2-[3-(piperidin-1-ylmethyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide)
CID 161355856
3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide;methane
CID 161621705
[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(5-fluoro-1H-indazol-3-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(2-phenyl-1H-imidazol-5-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(1,3-thiazol-2-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 162287462
5-[[2-[[6-amino-2-[[2-[[5-amino-2-[[6-[[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoyl]amino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(4-aminobutyl)-N-[7-(2-carbamoylpyrrolidine-1-carbonyl)-2-methyl-9-methylsulfanyl-5-oxononan-4-yl]-4-oxooctanediamide;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium
CID 58133353
1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-4-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(1,10-phenanthroline);ruthenium
CID 59008899
4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 91131584
N-[2-[3-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-4-methyl-2-[(E)-1-(methylideneamino)prop-1-en-2-yl]-1,3-thiazole-5-carboxamide;4-(piperazin-1-ylmethyl)-N-[2-[2-(propylamino)-4-pyridinyl]-1H-benzimidazol-4-yl]benzamide
CID 144265248
N,N-dimethyl-4-[7-(3-methylidene-1H-isoindol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzamide;7-(3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(1-methyl-3-methylidene-1H-isoindol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-[2-[4-(oxetan-3-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3,4-dihydroisoquinolin-1-one
CID 157103212
bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 157137522
8-propan-2-yl-4a,8a-dihydro-1H-quinolin-2-one;4-propan-2-ylcinnoline;4-propan-2-yl-1,3-dihydroquinoxalin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-ylimidazo[4,5-d]pyridazine;4-propan-2-ylisoquinoline;4-propan-2-yl-2H-isoquinolin-1-one;7-propan-2-ylpurine;bis(9-propan-2-ylpurine);4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;4-propan-2-yl-1H-quinolin-2-one;5-propan-2-yl-1H-quinolin-2-one
CID 157170587

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;N-(4-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine?
The IUPAC name of 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;N-(4-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine (CID 157355663) is 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;N-(4-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;N-(4-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;N-(4-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine is CC(C)(C)c1nc(-c2cc[nH]c2)c2[nH]cnc2n1.CC(C)(C)c1nc(NC(=O)C2CCNCC2)nc2c1CC=N2.CC(C)(C)c1nc(NC(=O)N2CCCC2)nc2ccccc12.CC(C)(C)c1nc2ccccc2nc1C(=O)N1CCNCC1.CC(C)(C)c1nc2ccccc2nc1SCc1ccccc1.CC(C)(C)c1ncc(CCNC2CCNC2)c2ncccc12.CC(C)(C)c1nccc2ccc(CC(=O)N3CCNCC3)cc12.CC(C)(C)c1ncnc2c1CCCN2.CC(C)(C)c1ncnc2c1ncn2CC1CCCNC1.
What is the InChIKey of 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;N-(4-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine?
The InChIKey is BIBABXTWDCQRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.C19H20N2S.C18H26N4.2C17H22N4O.C16H23N5O.C15H23N5.C13H15N5.C11H17N3/c1-19(2,3)18-16-12-14(4-5-15(16)6-7-21-18)13-17(23)22-10-8-20-9-11-22;1-19(2,3)17-18(22-13-14-9-5-4-6-10-14)21-16-12-8-7-11-15(16)20-17;1-18(2,3)17-15-5-4-8-21-16(15)13(11-22-17)6-10-20-14-7-9-19-12-14;1-17(2,3)14-12-8-4-5-9-13(12)18-15(19-14)20-16(22)21-10-6-7-11-21;1-17(2,3)15-14(16(22)21-10-8-18-9-11-21)19-12-6-4-5-7-13(12)20-15;1-16(2,3)12-11-6-9-18-13(11)20-15(19-12)21-14(22)10-4-7-17-8-5-10;1-15(2,3)13-12-14(18-9-17-13)20(10-19-12)8-11-5-4-6-16-7-11;1-13(2,3)12-17-9(8-4-5-14-6-8)10-11(18-12)16-7-15-10;1-11(2,3)9-8-5-4-6-12-10(8)14-7-13-9/h4-7,12,20H,8-11,13H2,1-3H3;4-12H,13H2,1-3H3;4-5,8,11,14,19-20H,6-7,9-10,12H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3,(H,18,19,20,22);4-7,18H,8-11H2,1-3H3;9-10,17H,4-8H2,1-3H3,(H,19,20,21,22);9-11,16H,4-8H2,1-3H3;4-7,14H,1-3H3,(H,15,16,17,18);7H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;N-(4-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine?
2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;N-(4-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine has a molecular weight of 2522.45 g/mol, XLogP of 24.55, 16 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;N-(4-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine is sourced from PubChem (CID 157355663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).