tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;4-methylaniline;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;5-methylpyridin-2-amine;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;N,N,3-trimethylaniline

C172H244F4N32O15 — CID 157151868

IUPACtert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;4-methylaniline;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;5-methylpyridin-2-amine;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;N,N,3-trimethylaniline
SMILESCC(=O)Cn1cc(C)cn1.COCCn1cc(C)cn1.Cc1ccc(C(=O)N2CCN(C)CC2)cc1.Cc1ccc(C(=O)N2CCN(CCO)CC2)cc1.Cc1ccc(C(=O)N2CC[C@@H](O)C2)cc1.Cc1ccc(C(C)(C)O)c(F)c1.Cc1ccc(F)cc1.Cc1ccc(N)cc1.Cc1ccc(N)nc1.Cc1cccc(F)c1.Cc1cccc(N(C)C)c1.Cc1ccccc1F.Cc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1.Cc1cnn(C2CCNCC2)c1.Cc1cnn(C2CCOCC2)c1.Cc1cnn(CC(=O)N2CCCC2)c1.Cc1cnn(CC(=O)O)c1.Cc1cnn(CCN2CCOCC2)c1.Cc1cnn([C@H]2CCNC2)c1
InChIInChI=1S/C14H23N3O2.C14H20N2O2.C13H18N2O.C12H15NO2.C10H13FO.C10H17N3O.C10H15N3O.C9H15N3.C9H14N2O.C9H13N.C8H13N3.3C7H7F.C7H10N2O.C7H12N2O.C7H9N.C6H8N2O2.C6H8N2/c1-11-9-15-17(10-11)12-5-7-16(8-6-12)13(18)19-14(2,3)4;1-12-2-4-13(5-3-12)14(18)16-8-6-15(7-9-16)10-11-17;1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15;1-9-2-4-10(5-3-9)12(15)13-7-6-11(14)8-13;1-7-4-5-8(9(11)6-7)10(2,3)12;1-10-8-11-13(9-10)3-2-12-4-6-14-7-5-12;1-9-6-11-13(7-9)8-10(14)12-4-2-3-5-12;1-8-6-11-12(7-8)9-2-4-10-5-3-9;1-8-6-10-11(7-8)9-2-4-12-5-3-9;1-8-5-4-6-9(7-8)10(2)3;1-7-4-10-11(6-7)8-2-3-9-5-8;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-3-8-9(4-6)5-7(2)10;1-7-5-8-9(6-7)3-4-10-2;1-6-2-4-7(8)5-3-6;1-5-2-7-8(3-5)4-6(9)10;1-5-2-3-6(7)8-4-5/h9-10,12H,5-8H2,1-4H3;2-5,17H,6-11H2,1H3;3-6H,7-10H2,1-2H3;2-5,11,14H,6-8H2,1H3;4-6,12H,1-3H3;8-9H,2-7H2,1H3;6-7H,2-5,8H2,1H3;6-7,9-10H,2-5H2,1H3;6-7,9H,2-5H2,1H3;4-7H,1-3H3;4,6,8-9H,2-3,5H2,1H3;3*2-5H,1H3;3-4H,5H2,1-2H3;5-6H,3-4H2,1-2H3;2-5H,8H2,1H3;2-3H,4H2,1H3,(H,9,10);2-4H,1H3,(H2,7,8)/t;;;11-;;;;;;;8-;;;;;;;;/m...1......0......../s1
InChIKeyALISLSUJWAIYNZ-OFXCRYFPSA-N
MW3076.04 g/mol
LogP26.08
Rot. Bonds23

About tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;4-methylaniline;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;5-methylpyridin-2-amine;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;N,N,3-trimethylaniline

tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;4-methylaniline;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;5-methylpyridin-2-amine;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;N,N,3-trimethylaniline (PubChem CID 157151868) has the molecular formula C172H244F4N32O15 and a molecular weight of 3076.04 g/mol. Its IUPAC name is tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;4-methylaniline;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;5-methylpyridin-2-amine;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;N,N,3-trimethylaniline.

Molecular Properties

Compound Nametert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;4-methylaniline;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;5-methylpyridin-2-amine;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;N,N,3-trimethylaniline
PubChem CID157151868
Molecular FormulaC172H244F4N32O15
Molecular Weight3076.04 g/mol
Exact Mass3073.93
IUPAC Nametert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;4-methylaniline;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;5-methylpyridin-2-amine;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;N,N,3-trimethylaniline
SMILESCC(=O)Cn1cc(C)cn1.COCCn1cc(C)cn1.Cc1ccc(C(=O)N2CCN(C)CC2)cc1.Cc1ccc(C(=O)N2CCN(CCO)CC2)cc1.Cc1ccc(C(=O)N2CC[C@@H](O)C2)cc1.Cc1ccc(C(C)(C)O)c(F)c1.Cc1ccc(F)cc1.Cc1ccc(N)cc1.Cc1ccc(N)nc1.Cc1cccc(F)c1.Cc1cccc(N(C)C)c1.Cc1ccccc1F.Cc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1.Cc1cnn(C2CCNCC2)c1.Cc1cnn(C2CCOCC2)c1.Cc1cnn(CC(=O)N2CCCC2)c1.Cc1cnn(CC(=O)O)c1.Cc1cnn(CCN2CCOCC2)c1.Cc1cnn([C@H]2CCNC2)c1
InChIInChI=1S/C14H23N3O2.C14H20N2O2.C13H18N2O.C12H15NO2.C10H13FO.C10H17N3O.C10H15N3O.C9H15N3.C9H14N2O.C9H13N.C8H13N3.3C7H7F.C7H10N2O.C7H12N2O.C7H9N.C6H8N2O2.C6H8N2/c1-11-9-15-17(10-11)12-5-7-16(8-6-12)13(18)19-14(2,3)4;1-12-2-4-13(5-3-12)14(18)16-8-6-15(7-9-16)10-11-17;1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15;1-9-2-4-10(5-3-9)12(15)13-7-6-11(14)8-13;1-7-4-5-8(9(11)6-7)10(2,3)12;1-10-8-11-13(9-10)3-2-12-4-6-14-7-5-12;1-9-6-11-13(7-9)8-10(14)12-4-2-3-5-12;1-8-6-11-12(7-8)9-2-4-10-5-3-9;1-8-6-10-11(7-8)9-2-4-12-5-3-9;1-8-5-4-6-9(7-8)10(2)3;1-7-4-10-11(6-7)8-2-3-9-5-8;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-3-8-9(4-6)5-7(2)10;1-7-5-8-9(6-7)3-4-10-2;1-6-2-4-7(8)5-3-6;1-5-2-7-8(3-5)4-6(9)10;1-5-2-3-6(7)8-4-5/h9-10,12H,5-8H2,1-4H3;2-5,17H,6-11H2,1H3;3-6H,7-10H2,1-2H3;2-5,11,14H,6-8H2,1H3;4-6,12H,1-3H3;8-9H,2-7H2,1H3;6-7H,2-5,8H2,1H3;6-7,9-10H,2-5H2,1H3;6-7,9H,2-5H2,1H3;4-7H,1-3H3;4,6,8-9H,2-3,5H2,1H3;3*2-5H,1H3;3-4H,5H2,1-2H3;5-6H,3-4H2,1-2H3;2-5H,8H2,1H3;2-3H,4H2,1H3,(H,9,10);2-4H,1H3,(H2,7,8)/t;;;11-;;;;;;;8-;;;;;;;;/m...1......0......../s1
InChIKeyALISLSUJWAIYNZ-OFXCRYFPSA-N
XLogP26.08
TPSA515.86 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds23
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003076.04
LogP ≤ 526.08
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;4-methylaniline;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;5-methylpyridin-2-amine;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;N,N,3-trimethylaniline with MolForge

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Related Compounds

(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]pentan-2-one;tert-butyl 3-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]propanoate;tert-butyl N-[[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-6-yl]methyl]carbamate;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 157163689
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]pentan-2-one;tert-butyl 3-[3-[2-[[(1S)-1-[3-(3-carbamoylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]propanoate;tert-butyl N-[[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-6-yl]methyl]carbamate;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 159725395
CID 157230681
CID 157230681
2-amino-N-[(3S,4S)-1-methyl-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4S)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid;tert-butyl (3S,4S)-3-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]-4-[(4-bromophenyl)methoxy]pyrrolidine-1-carboxylate
CID 157283579
5-(aminomethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;tert-butyl (2S)-4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate;6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid;6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarboxylic acid
CID 157608080
N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide
CID 157721833
2-amino-N-[(3R)-1-[6-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]naphthalene-2-carbonyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-[6-(piperidin-4-ylamino)naphthalene-2-carbonyl]pyrrolidin-3-yl]pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]pyridine-3-carboxamide;2-bromoethanol;6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]naphthalene-2-carboxylic acid
CID 158349039
4-[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-[3-(difluoromethyl)-5-fluorophenyl]-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-[3-(difluoromethyl)-5-fluorophenyl]-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-[3-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzamide
CID 158380588
4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluorobenzoic acid;4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;(2S)-2-amino-2-phenylethanol;ethane;methyl 4-[3-amino-6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]-2-fluorobenzoate
CID 158645020
4-ethyl-N,5-dimethyl-6-pyrazol-1-ylpyridine-2-carboxamide;4-ethyl-5-methyl-6-pyrazol-1-ylpyridine-2-carboxylic acid;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;methanamine;1-methyl-3-(4-methylphenyl)pyrazole;(3R,4S)-4-methyloxan-3-ol;molecular iodine
CID 158662543
1-(4-acetylphenyl)cyclohexane-1-carboxylic acid;tert-butyl 5-[[(2R,4R)-1-[1-(4-acetylphenyl)cyclohexanecarbonyl]-4-fluoropyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl 5-[[(2R,4R)-4-fluoro-1-[1-(4-methoxycarbonylphenyl)cyclohexanecarbonyl]pyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl 5-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-[4-(2-hydroxypropan-2-yl)phenyl]cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide;4-[1-[(2R,4R)-4-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolo[4,5-b]pyridin-5-yl]carbamoyl]pyrrolidine-1-carbonyl]cyclohexyl]benzoic acid;methyl 4-[1-[(2R,4R)-4-fluoro-2-(1H-pyrazolo[4,5-b]pyridin-5-ylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexyl]benzoate
CID 159276951
4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;1-[(2S,4R)-4-anilino-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[(4-fluoro-2-pyridinyl)amino]-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;tris(2-methylpropane)
CID 159403687

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;4-methylaniline;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;5-methylpyridin-2-amine;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;N,N,3-trimethylaniline?
The IUPAC name of tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;4-methylaniline;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;5-methylpyridin-2-amine;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;N,N,3-trimethylaniline (CID 157151868) is tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;4-methylaniline;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;5-methylpyridin-2-amine;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;N,N,3-trimethylaniline.
What is the SMILES notation for tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;4-methylaniline;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;5-methylpyridin-2-amine;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;N,N,3-trimethylaniline?
The canonical SMILES for tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;4-methylaniline;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;5-methylpyridin-2-amine;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;N,N,3-trimethylaniline is CC(=O)Cn1cc(C)cn1.COCCn1cc(C)cn1.Cc1ccc(C(=O)N2CCN(C)CC2)cc1.Cc1ccc(C(=O)N2CCN(CCO)CC2)cc1.Cc1ccc(C(=O)N2CC[C@@H](O)C2)cc1.Cc1ccc(C(C)(C)O)c(F)c1.Cc1ccc(F)cc1.Cc1ccc(N)cc1.Cc1ccc(N)nc1.Cc1cccc(F)c1.Cc1cccc(N(C)C)c1.Cc1ccccc1F.Cc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1.Cc1cnn(C2CCNCC2)c1.Cc1cnn(C2CCOCC2)c1.Cc1cnn(CC(=O)N2CCCC2)c1.Cc1cnn(CC(=O)O)c1.Cc1cnn(CCN2CCOCC2)c1.Cc1cnn([C@H]2CCNC2)c1.
What is the InChIKey of tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;4-methylaniline;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;5-methylpyridin-2-amine;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;N,N,3-trimethylaniline?
The InChIKey is ALISLSUJWAIYNZ-OFXCRYFPSA-N. The full InChI is InChI=1S/C14H23N3O2.C14H20N2O2.C13H18N2O.C12H15NO2.C10H13FO.C10H17N3O.C10H15N3O.C9H15N3.C9H14N2O.C9H13N.C8H13N3.3C7H7F.C7H10N2O.C7H12N2O.C7H9N.C6H8N2O2.C6H8N2/c1-11-9-15-17(10-11)12-5-7-16(8-6-12)13(18)19-14(2,3)4;1-12-2-4-13(5-3-12)14(18)16-8-6-15(7-9-16)10-11-17;1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15;1-9-2-4-10(5-3-9)12(15)13-7-6-11(14)8-13;1-7-4-5-8(9(11)6-7)10(2,3)12;1-10-8-11-13(9-10)3-2-12-4-6-14-7-5-12;1-9-6-11-13(7-9)8-10(14)12-4-2-3-5-12;1-8-6-11-12(7-8)9-2-4-10-5-3-9;1-8-6-10-11(7-8)9-2-4-12-5-3-9;1-8-5-4-6-9(7-8)10(2)3;1-7-4-10-11(6-7)8-2-3-9-5-8;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-3-8-9(4-6)5-7(2)10;1-7-5-8-9(6-7)3-4-10-2;1-6-2-4-7(8)5-3-6;1-5-2-7-8(3-5)4-6(9)10;1-5-2-3-6(7)8-4-5/h9-10,12H,5-8H2,1-4H3;2-5,17H,6-11H2,1H3;3-6H,7-10H2,1-2H3;2-5,11,14H,6-8H2,1H3;4-6,12H,1-3H3;8-9H,2-7H2,1H3;6-7H,2-5,8H2,1H3;6-7,9-10H,2-5H2,1H3;6-7,9H,2-5H2,1H3;4-7H,1-3H3;4,6,8-9H,2-3,5H2,1H3;3*2-5H,1H3;3-4H,5H2,1-2H3;5-6H,3-4H2,1-2H3;2-5H,8H2,1H3;2-3H,4H2,1H3,(H,9,10);2-4H,1H3,(H2,7,8)/t;;;11-;;;;;;;8-;;;;;;;;/m...1......0......../s1.
What are the key properties of tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;4-methylaniline;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;5-methylpyridin-2-amine;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;N,N,3-trimethylaniline?
tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;4-methylaniline;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;5-methylpyridin-2-amine;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;N,N,3-trimethylaniline has a molecular weight of 3076.04 g/mol, XLogP of 26.08, 23 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;1-(2-methoxyethyl)-4-methylpyrazole;4-methylaniline;4-methyl-1-(oxan-4-yl)pyrazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;2-(4-methylpyrazol-1-yl)acetic acid;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;4-(4-methylpyrazol-1-yl)piperidine;1-(4-methylpyrazol-1-yl)propan-2-one;2-(4-methylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone;5-methylpyridin-2-amine;4-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole;N,N,3-trimethylaniline is sourced from PubChem (CID 157151868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).