1-[(1-benzylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;1-(1-benzylpyrrolidin-3-yl)-4-propan-2-ylpiperazine;N,N-diethyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine;N,N-dimethyl-4-propan-2-yl-1,4-diazepane-1-carboxamide;ethane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1-propan-2-ylimidazole;4-phenyl-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-ol;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;2-(4-propan-2-ylpiperazin-1-yl)ethanol;(1-propan-2-ylpiperidin-3-yl)methanol;1-(1-propan-2-ylpiperidin-4-yl)-4-propylpiperazine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole

C195H362N46O5 — CID 157497624

IUPAC1-[(1-benzylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;1-(1-benzylpyrrolidin-3-yl)-4-propan-2-ylpiperazine;N,N-diethyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine;N,N-dimethyl-4-propan-2-yl-1,4-diazepane-1-carboxamide;ethane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1-propan-2-ylimidazole;4-phenyl-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-ol;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;2-(4-propan-2-ylpiperazin-1-yl)ethanol;(1-propan-2-ylpiperidin-3-yl)methanol;1-(1-propan-2-ylpiperidin-4-yl)-4-propylpiperazine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole
SMILESCC.CC(C)N1CC2CC1CN2C.CC(C)N1CCC(N2CCC(O)(c3ccccc3)CC2)CC1.CC(C)N1CCC(O)C1.CC(C)N1CCCC(CO)C1.CC(C)N1CCCN(C(=O)N(C)C)CC1.CC(C)N1CCN(C2CCN(Cc3ccccc3)C2)CC1.CC(C)N1CCN(CC2CCN(Cc3ccccc3)CC2)CC1.CC(C)N1CCN(CCN2CCCC2)CC1.CC(C)N1CCN(CCO)CC1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cnnn1.CC(C)n1nnc2ccccc21.CCCN1CCN(C2CCN(C(C)C)CC2)CC1.CCN(CC)CCCN1CCN(C(C)C)CC1.Cc1cn(C(C)C)cn1
InChIInChI=1S/C20H33N3.C19H30N2O.C18H29N3.C15H31N3.C14H31N3.C13H27N3.C11H23N3O.C9H11N3.C9H20N2O.C9H18N2.C9H19NO.C7H12N2.C7H15NO.C7H11N.2C6H10N2.2C5H9N3.C4H8N4.C2H6/c1-18(2)23-14-12-22(13-15-23)17-20-8-10-21(11-9-20)16-19-6-4-3-5-7-19;1-16(2)20-12-8-18(9-13-20)21-14-10-19(22,11-15-21)17-6-4-3-5-7-17;1-16(2)20-10-12-21(13-11-20)18-8-9-19(15-18)14-17-6-4-3-5-7-17;1-4-7-16-10-12-18(13-11-16)15-5-8-17(9-6-15)14(2)3;1-5-15(6-2)8-7-9-16-10-12-17(13-11-16)14(3)4;1-13(2)16-11-9-15(10-12-16)8-7-14-5-3-4-6-14;1-10(2)13-6-5-7-14(9-8-13)11(15)12(3)4;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-9(2)11-5-3-10(4-6-11)7-8-12;1-7(2)11-6-8-4-9(11)5-10(8)3;1-8(2)10-5-3-4-9(6-10)7-11;1-6(2)9-4-7(3)8-5-9;1-6(2)8-4-3-7(9)5-8;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-4(2)8-3-5-6-7-8;1-2/h3-7,18,20H,8-17H2,1-2H3;3-7,16,18,22H,8-15H2,1-2H3;3-7,16,18H,8-15H2,1-2H3;14-15H,4-13H2,1-3H3;14H,5-13H2,1-4H3;13H,3-12H2,1-2H3;10H,5-9H2,1-4H3;3-7H,1-2H3;9,12H,3-8H2,1-2H3;7-9H,4-6H2,1-3H3;8-9,11H,3-7H2,1-2H3;4-6H,1-3H3;6-7,9H,3-5H2,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3;1-2H3
InChIKeyBYADSKHUKFWLRW-UHFFFAOYSA-N
MW3431.36 g/mol
LogP28.01
Rot. Bonds43

About 1-[(1-benzylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;1-(1-benzylpyrrolidin-3-yl)-4-propan-2-ylpiperazine;N,N-diethyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine;N,N-dimethyl-4-propan-2-yl-1,4-diazepane-1-carboxamide;ethane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1-propan-2-ylimidazole;4-phenyl-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-ol;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;2-(4-propan-2-ylpiperazin-1-yl)ethanol;(1-propan-2-ylpiperidin-3-yl)methanol;1-(1-propan-2-ylpiperidin-4-yl)-4-propylpiperazine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole

1-[(1-benzylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;1-(1-benzylpyrrolidin-3-yl)-4-propan-2-ylpiperazine;N,N-diethyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine;N,N-dimethyl-4-propan-2-yl-1,4-diazepane-1-carboxamide;ethane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1-propan-2-ylimidazole;4-phenyl-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-ol;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;2-(4-propan-2-ylpiperazin-1-yl)ethanol;(1-propan-2-ylpiperidin-3-yl)methanol;1-(1-propan-2-ylpiperidin-4-yl)-4-propylpiperazine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole (PubChem CID 157497624) has the molecular formula C195H362N46O5 and a molecular weight of 3431.36 g/mol. Its IUPAC name is 1-[(1-benzylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;1-(1-benzylpyrrolidin-3-yl)-4-propan-2-ylpiperazine;N,N-diethyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine;N,N-dimethyl-4-propan-2-yl-1,4-diazepane-1-carboxamide;ethane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1-propan-2-ylimidazole;4-phenyl-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-ol;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;2-(4-propan-2-ylpiperazin-1-yl)ethanol;(1-propan-2-ylpiperidin-3-yl)methanol;1-(1-propan-2-ylpiperidin-4-yl)-4-propylpiperazine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-[(1-benzylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;1-(1-benzylpyrrolidin-3-yl)-4-propan-2-ylpiperazine;N,N-diethyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine;N,N-dimethyl-4-propan-2-yl-1,4-diazepane-1-carboxamide;ethane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1-propan-2-ylimidazole;4-phenyl-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-ol;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;2-(4-propan-2-ylpiperazin-1-yl)ethanol;(1-propan-2-ylpiperidin-3-yl)methanol;1-(1-propan-2-ylpiperidin-4-yl)-4-propylpiperazine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole
PubChem CID157497624
Molecular FormulaC195H362N46O5
Molecular Weight3431.36 g/mol
Exact Mass3428.95
IUPAC Name1-[(1-benzylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;1-(1-benzylpyrrolidin-3-yl)-4-propan-2-ylpiperazine;N,N-diethyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine;N,N-dimethyl-4-propan-2-yl-1,4-diazepane-1-carboxamide;ethane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1-propan-2-ylimidazole;4-phenyl-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-ol;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;2-(4-propan-2-ylpiperazin-1-yl)ethanol;(1-propan-2-ylpiperidin-3-yl)methanol;1-(1-propan-2-ylpiperidin-4-yl)-4-propylpiperazine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole
SMILESCC.CC(C)N1CC2CC1CN2C.CC(C)N1CCC(N2CCC(O)(c3ccccc3)CC2)CC1.CC(C)N1CCC(O)C1.CC(C)N1CCCC(CO)C1.CC(C)N1CCCN(C(=O)N(C)C)CC1.CC(C)N1CCN(C2CCN(Cc3ccccc3)C2)CC1.CC(C)N1CCN(CC2CCN(Cc3ccccc3)CC2)CC1.CC(C)N1CCN(CCN2CCCC2)CC1.CC(C)N1CCN(CCO)CC1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cnnn1.CC(C)n1nnc2ccccc21.CCCN1CCN(C2CCN(C(C)C)CC2)CC1.CCN(CC)CCCN1CCN(C(C)C)CC1.Cc1cn(C(C)C)cn1
InChIInChI=1S/C20H33N3.C19H30N2O.C18H29N3.C15H31N3.C14H31N3.C13H27N3.C11H23N3O.C9H11N3.C9H20N2O.C9H18N2.C9H19NO.C7H12N2.C7H15NO.C7H11N.2C6H10N2.2C5H9N3.C4H8N4.C2H6/c1-18(2)23-14-12-22(13-15-23)17-20-8-10-21(11-9-20)16-19-6-4-3-5-7-19;1-16(2)20-12-8-18(9-13-20)21-14-10-19(22,11-15-21)17-6-4-3-5-7-17;1-16(2)20-10-12-21(13-11-20)18-8-9-19(15-18)14-17-6-4-3-5-7-17;1-4-7-16-10-12-18(13-11-16)15-5-8-17(9-6-15)14(2)3;1-5-15(6-2)8-7-9-16-10-12-17(13-11-16)14(3)4;1-13(2)16-11-9-15(10-12-16)8-7-14-5-3-4-6-14;1-10(2)13-6-5-7-14(9-8-13)11(15)12(3)4;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-9(2)11-5-3-10(4-6-11)7-8-12;1-7(2)11-6-8-4-9(11)5-10(8)3;1-8(2)10-5-3-4-9(6-10)7-11;1-6(2)9-4-7(3)8-5-9;1-6(2)8-4-3-7(9)5-8;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-4(2)8-3-5-6-7-8;1-2/h3-7,18,20H,8-17H2,1-2H3;3-7,16,18,22H,8-15H2,1-2H3;3-7,16,18H,8-15H2,1-2H3;14-15H,4-13H2,1-3H3;14H,5-13H2,1-4H3;13H,3-12H2,1-2H3;10H,5-9H2,1-4H3;3-7H,1-2H3;9,12H,3-8H2,1-2H3;7-9H,4-6H2,1-3H3;8-9,11H,3-7H2,1-2H3;4-6H,1-3H3;6-7,9H,3-5H2,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3;1-2H3
InChIKeyBYADSKHUKFWLRW-UHFFFAOYSA-N
XLogP28.01
TPSA376.35 Ų
H-Bond Donors4
H-Bond Acceptors49
Rotatable Bonds43
Heavy Atoms246
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003431.36
LogP ≤ 528.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1049

Analyze 1-[(1-benzylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;1-(1-benzylpyrrolidin-3-yl)-4-propan-2-ylpiperazine;N,N-diethyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine;N,N-dimethyl-4-propan-2-yl-1,4-diazepane-1-carboxamide;ethane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1-propan-2-ylimidazole;4-phenyl-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-ol;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;2-(4-propan-2-ylpiperazin-1-yl)ethanol;(1-propan-2-ylpiperidin-3-yl)methanol;1-(1-propan-2-ylpiperidin-4-yl)-4-propylpiperazine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole with MolForge

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Related Compounds

2-(4-Fluorophenyl)-2-[2-[4-[3-[[4-[3-[[4-[4-[4-[5-[1-(4-fluorophenyl)-1-hydroxyethyl]pyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-4-[4-[5-[2-(4-fluorophenyl)-1-hydroxypropan-2-yl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-3-ium-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-3-ium-4-yl]piperazin-1-yl]pyrimidin-5-yl]propan-1-ol
CID 123217151
1-[2-[4-[5-Fluoro-6-[1-[[5-fluoro-4-[4-[5-[1-(4-fluorophenyl)-1-hydroxyethyl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-3-ium-3-yl]methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(4-fluorophenyl)ethanol
CID 123436596
1-[4-Fluoro-3-[4-[4-[4-[5-[1-(4-fluorophenyl)-2-hydroxyethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1-methylpyrazol-5-yl]phenyl]-1-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanol
CID 123630613
(4-fluorophenyl)-[2-[4-[2-[[4-[4-[4-[5-[(4-fluorophenyl)-[1-(4-fluorophenyl)-1-[2-[4-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]peroxymethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]methanol
CID 123712379
1-(4-fluorophenyl)-1-[2-[4-[6-[1-[(Z)-3-(4-fluorophenyl)-3-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]prop-2-enyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 138630489
tert-butyl (3R)-3-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]pyrrolidine-1-carboxylate;4-[2-[[(3S)-oxolan-3-yl]methyl]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-(2-piperidin-1-yl-4-pyridinyl)-2-(3,3,3-trifluoropropylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 160057104
5-[(1S,5R)-8-azabicyclo[3.2.1]oct-2-en-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-7-(4-methylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;tert-butyl (1R,5S)-3-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 161151662
4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-(2-methyl-4-pyridinyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 161456652
4-[5-(1,3-dimethylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 162030654
1-[2-[4-[6-[1-[[4-[4-[5-(1-Hydroxy-1-phenylethyl)pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-3-ium-3-yl]methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-phenylethanol
CID 123910954
4-[4-[5-[2-Fluoro-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;2-fluoro-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 144831559
4-[4-[5-[1-(4-Fluorophenyl)ethyl]pyrimidin-2-yl]-3-methylpiperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;1-(4-fluorophenyl)-1-[2-[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 144831595

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;1-(1-benzylpyrrolidin-3-yl)-4-propan-2-ylpiperazine;N,N-diethyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine;N,N-dimethyl-4-propan-2-yl-1,4-diazepane-1-carboxamide;ethane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1-propan-2-ylimidazole;4-phenyl-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-ol;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;2-(4-propan-2-ylpiperazin-1-yl)ethanol;(1-propan-2-ylpiperidin-3-yl)methanol;1-(1-propan-2-ylpiperidin-4-yl)-4-propylpiperazine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 1-[(1-benzylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;1-(1-benzylpyrrolidin-3-yl)-4-propan-2-ylpiperazine;N,N-diethyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine;N,N-dimethyl-4-propan-2-yl-1,4-diazepane-1-carboxamide;ethane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1-propan-2-ylimidazole;4-phenyl-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-ol;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;2-(4-propan-2-ylpiperazin-1-yl)ethanol;(1-propan-2-ylpiperidin-3-yl)methanol;1-(1-propan-2-ylpiperidin-4-yl)-4-propylpiperazine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole (CID 157497624) is 1-[(1-benzylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;1-(1-benzylpyrrolidin-3-yl)-4-propan-2-ylpiperazine;N,N-diethyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine;N,N-dimethyl-4-propan-2-yl-1,4-diazepane-1-carboxamide;ethane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1-propan-2-ylimidazole;4-phenyl-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-ol;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;2-(4-propan-2-ylpiperazin-1-yl)ethanol;(1-propan-2-ylpiperidin-3-yl)methanol;1-(1-propan-2-ylpiperidin-4-yl)-4-propylpiperazine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 1-[(1-benzylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;1-(1-benzylpyrrolidin-3-yl)-4-propan-2-ylpiperazine;N,N-diethyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine;N,N-dimethyl-4-propan-2-yl-1,4-diazepane-1-carboxamide;ethane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1-propan-2-ylimidazole;4-phenyl-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-ol;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;2-(4-propan-2-ylpiperazin-1-yl)ethanol;(1-propan-2-ylpiperidin-3-yl)methanol;1-(1-propan-2-ylpiperidin-4-yl)-4-propylpiperazine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 1-[(1-benzylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;1-(1-benzylpyrrolidin-3-yl)-4-propan-2-ylpiperazine;N,N-diethyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine;N,N-dimethyl-4-propan-2-yl-1,4-diazepane-1-carboxamide;ethane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1-propan-2-ylimidazole;4-phenyl-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-ol;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;2-(4-propan-2-ylpiperazin-1-yl)ethanol;(1-propan-2-ylpiperidin-3-yl)methanol;1-(1-propan-2-ylpiperidin-4-yl)-4-propylpiperazine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole is CC.CC(C)N1CC2CC1CN2C.CC(C)N1CCC(N2CCC(O)(c3ccccc3)CC2)CC1.CC(C)N1CCC(O)C1.CC(C)N1CCCC(CO)C1.CC(C)N1CCCN(C(=O)N(C)C)CC1.CC(C)N1CCN(C2CCN(Cc3ccccc3)C2)CC1.CC(C)N1CCN(CC2CCN(Cc3ccccc3)CC2)CC1.CC(C)N1CCN(CCN2CCCC2)CC1.CC(C)N1CCN(CCO)CC1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cnnn1.CC(C)n1nnc2ccccc21.CCCN1CCN(C2CCN(C(C)C)CC2)CC1.CCN(CC)CCCN1CCN(C(C)C)CC1.Cc1cn(C(C)C)cn1.
What is the InChIKey of 1-[(1-benzylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;1-(1-benzylpyrrolidin-3-yl)-4-propan-2-ylpiperazine;N,N-diethyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine;N,N-dimethyl-4-propan-2-yl-1,4-diazepane-1-carboxamide;ethane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1-propan-2-ylimidazole;4-phenyl-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-ol;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;2-(4-propan-2-ylpiperazin-1-yl)ethanol;(1-propan-2-ylpiperidin-3-yl)methanol;1-(1-propan-2-ylpiperidin-4-yl)-4-propylpiperazine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole?
The InChIKey is BYADSKHUKFWLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3.C19H30N2O.C18H29N3.C15H31N3.C14H31N3.C13H27N3.C11H23N3O.C9H11N3.C9H20N2O.C9H18N2.C9H19NO.C7H12N2.C7H15NO.C7H11N.2C6H10N2.2C5H9N3.C4H8N4.C2H6/c1-18(2)23-14-12-22(13-15-23)17-20-8-10-21(11-9-20)16-19-6-4-3-5-7-19;1-16(2)20-12-8-18(9-13-20)21-14-10-19(22,11-15-21)17-6-4-3-5-7-17;1-16(2)20-10-12-21(13-11-20)18-8-9-19(15-18)14-17-6-4-3-5-7-17;1-4-7-16-10-12-18(13-11-16)15-5-8-17(9-6-15)14(2)3;1-5-15(6-2)8-7-9-16-10-12-17(13-11-16)14(3)4;1-13(2)16-11-9-15(10-12-16)8-7-14-5-3-4-6-14;1-10(2)13-6-5-7-14(9-8-13)11(15)12(3)4;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-9(2)11-5-3-10(4-6-11)7-8-12;1-7(2)11-6-8-4-9(11)5-10(8)3;1-8(2)10-5-3-4-9(6-10)7-11;1-6(2)9-4-7(3)8-5-9;1-6(2)8-4-3-7(9)5-8;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-4(2)8-3-5-6-7-8;1-2/h3-7,18,20H,8-17H2,1-2H3;3-7,16,18,22H,8-15H2,1-2H3;3-7,16,18H,8-15H2,1-2H3;14-15H,4-13H2,1-3H3;14H,5-13H2,1-4H3;13H,3-12H2,1-2H3;10H,5-9H2,1-4H3;3-7H,1-2H3;9,12H,3-8H2,1-2H3;7-9H,4-6H2,1-3H3;8-9,11H,3-7H2,1-2H3;4-6H,1-3H3;6-7,9H,3-5H2,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3;1-2H3.
What are the key properties of 1-[(1-benzylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;1-(1-benzylpyrrolidin-3-yl)-4-propan-2-ylpiperazine;N,N-diethyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine;N,N-dimethyl-4-propan-2-yl-1,4-diazepane-1-carboxamide;ethane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1-propan-2-ylimidazole;4-phenyl-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-ol;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;2-(4-propan-2-ylpiperazin-1-yl)ethanol;(1-propan-2-ylpiperidin-3-yl)methanol;1-(1-propan-2-ylpiperidin-4-yl)-4-propylpiperazine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole?
1-[(1-benzylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;1-(1-benzylpyrrolidin-3-yl)-4-propan-2-ylpiperazine;N,N-diethyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine;N,N-dimethyl-4-propan-2-yl-1,4-diazepane-1-carboxamide;ethane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1-propan-2-ylimidazole;4-phenyl-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-ol;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;2-(4-propan-2-ylpiperazin-1-yl)ethanol;(1-propan-2-ylpiperidin-3-yl)methanol;1-(1-propan-2-ylpiperidin-4-yl)-4-propylpiperazine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole has a molecular weight of 3431.36 g/mol, XLogP of 28.01, 43 rotatable bonds, 4 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;1-(1-benzylpyrrolidin-3-yl)-4-propan-2-ylpiperazine;N,N-diethyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine;N,N-dimethyl-4-propan-2-yl-1,4-diazepane-1-carboxamide;ethane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1-propan-2-ylimidazole;4-phenyl-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-ol;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazole;2-(4-propan-2-ylpiperazin-1-yl)ethanol;(1-propan-2-ylpiperidin-3-yl)methanol;1-(1-propan-2-ylpiperidin-4-yl)-4-propylpiperazine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidin-3-ol;1-propan-2-yl-4-(2-pyrrolidin-1-ylethyl)piperazine;1-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 157497624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).