tert-butyl N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-N-(2-pyrrolidin-1-ylethyl)carbamate;tert-butyl 4-[(2-chloroquinazolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[[1-[3-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyrrolidin-1-ylethyl)amino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidine-1-carboxylate;methane;4-N-piperidin-4-yl-2-N-[[1-[3-(2-pyrrolidin-1-ylethylamino)propyl]triazol-4-yl]methyl]quinazoline-2,4-diamine

C98H159ClN30O8 — CID 158439818

IUPACtert-butyl N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-N-(2-pyrrolidin-1-ylethyl)carbamate;tert-butyl 4-[(2-chloroquinazolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[[1-[3-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyrrolidin-1-ylethyl)amino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidine-1-carboxylate;methane;4-N-piperidin-4-yl-2-N-[[1-[3-(2-pyrrolidin-1-ylethylamino)propyl]triazol-4-yl]methyl]quinazoline-2,4-diamine
SMILESC.C.C.CC(C)(C)OC(=O)N(CCCn1cc(CN)nn1)CCN1CCCC1.CC(C)(C)OC(=O)N1CCC(Nc2nc(Cl)nc3ccccc23)CC1.CC(C)(C)OC(=O)N1CCC(Nc2nc(NCc3cn(CCCN(CCN4CCCC4)C(=O)OC(C)(C)C)nn3)nc3ccccc23)CC1.c1ccc2c(NC3CCNCC3)nc(NCc3cn(CCCNCCN4CCCC4)nn3)nc2c1
InChIInChI=1S/C35H54N10O4.C25H38N10.C18H23ClN4O2.C17H32N6O2.3CH4/c1-34(2,3)48-32(46)43(23-22-42-16-9-10-17-42)18-11-19-45-25-27(40-41-45)24-36-31-38-29-13-8-7-12-28(29)30(39-31)37-26-14-20-44(21-15-26)33(47)49-35(4,5)6;1-2-7-23-22(6-1)24(29-20-8-11-27-12-9-20)31-25(30-23)28-18-21-19-35(33-32-21)16-5-10-26-13-17-34-14-3-4-15-34;1-18(2,3)25-17(24)23-10-8-12(9-11-23)20-15-13-6-4-5-7-14(13)21-16(19)22-15;1-17(2,3)25-16(24)22(12-11-21-7-4-5-8-21)9-6-10-23-14-15(13-18)19-20-23;;;/h7-8,12-13,25-26H,9-11,14-24H2,1-6H3,(H2,36,37,38,39);1-2,6-7,19-20,26-27H,3-5,8-18H2,(H2,28,29,30,31);4-7,12H,8-11H2,1-3H3,(H,20,21,22);14H,4-13,18H2,1-3H3;3*1H4
InChIKeyHCRGLMGAHPGNGC-UHFFFAOYSA-N
MW1921.00 g/mol
LogP14.90
Rot. Bonds34

About tert-butyl N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-N-(2-pyrrolidin-1-ylethyl)carbamate;tert-butyl 4-[(2-chloroquinazolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[[1-[3-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyrrolidin-1-ylethyl)amino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidine-1-carboxylate;methane;4-N-piperidin-4-yl-2-N-[[1-[3-(2-pyrrolidin-1-ylethylamino)propyl]triazol-4-yl]methyl]quinazoline-2,4-diamine

tert-butyl N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-N-(2-pyrrolidin-1-ylethyl)carbamate;tert-butyl 4-[(2-chloroquinazolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[[1-[3-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyrrolidin-1-ylethyl)amino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidine-1-carboxylate;methane;4-N-piperidin-4-yl-2-N-[[1-[3-(2-pyrrolidin-1-ylethylamino)propyl]triazol-4-yl]methyl]quinazoline-2,4-diamine (PubChem CID 158439818) has the molecular formula C98H159ClN30O8 and a molecular weight of 1921.00 g/mol. Its IUPAC name is tert-butyl N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-N-(2-pyrrolidin-1-ylethyl)carbamate;tert-butyl 4-[(2-chloroquinazolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[[1-[3-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyrrolidin-1-ylethyl)amino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidine-1-carboxylate;methane;4-N-piperidin-4-yl-2-N-[[1-[3-(2-pyrrolidin-1-ylethylamino)propyl]triazol-4-yl]methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Nametert-butyl N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-N-(2-pyrrolidin-1-ylethyl)carbamate;tert-butyl 4-[(2-chloroquinazolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[[1-[3-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyrrolidin-1-ylethyl)amino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidine-1-carboxylate;methane;4-N-piperidin-4-yl-2-N-[[1-[3-(2-pyrrolidin-1-ylethylamino)propyl]triazol-4-yl]methyl]quinazoline-2,4-diamine
PubChem CID158439818
Molecular FormulaC98H159ClN30O8
Molecular Weight1921.00 g/mol
Exact Mass1919.26
IUPAC Nametert-butyl N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-N-(2-pyrrolidin-1-ylethyl)carbamate;tert-butyl 4-[(2-chloroquinazolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[[1-[3-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyrrolidin-1-ylethyl)amino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidine-1-carboxylate;methane;4-N-piperidin-4-yl-2-N-[[1-[3-(2-pyrrolidin-1-ylethylamino)propyl]triazol-4-yl]methyl]quinazoline-2,4-diamine
SMILESC.C.C.CC(C)(C)OC(=O)N(CCCn1cc(CN)nn1)CCN1CCCC1.CC(C)(C)OC(=O)N1CCC(Nc2nc(Cl)nc3ccccc23)CC1.CC(C)(C)OC(=O)N1CCC(Nc2nc(NCc3cn(CCCN(CCN4CCCC4)C(=O)OC(C)(C)C)nn3)nc3ccccc23)CC1.c1ccc2c(NC3CCNCC3)nc(NCc3cn(CCCNCCN4CCCC4)nn3)nc2c1
InChIInChI=1S/C35H54N10O4.C25H38N10.C18H23ClN4O2.C17H32N6O2.3CH4/c1-34(2,3)48-32(46)43(23-22-42-16-9-10-17-42)18-11-19-45-25-27(40-41-45)24-36-31-38-29-13-8-7-12-28(29)30(39-31)37-26-14-20-44(21-15-26)33(47)49-35(4,5)6;1-2-7-23-22(6-1)24(29-20-8-11-27-12-9-20)31-25(30-23)28-18-21-19-35(33-32-21)16-5-10-26-13-17-34-14-3-4-15-34;1-18(2,3)25-17(24)23-10-8-12(9-11-23)20-15-13-6-4-5-7-14(13)21-16(19)22-15;1-17(2,3)25-16(24)22(12-11-21-7-4-5-8-21)9-6-10-23-14-15(13-18)19-20-23;;;/h7-8,12-13,25-26H,9-11,14-24H2,1-6H3,(H2,36,37,38,39);1-2,6-7,19-20,26-27H,3-5,8-18H2,(H2,28,29,30,31);4-7,12H,8-11H2,1-3H3,(H,20,21,22);14H,4-13,18H2,1-3H3;3*1H4
InChIKeyHCRGLMGAHPGNGC-UHFFFAOYSA-N
XLogP14.90
TPSA407.58 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds34
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001921.00
LogP ≤ 514.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-N-(2-pyrrolidin-1-ylethyl)carbamate;tert-butyl 4-[(2-chloroquinazolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[[1-[3-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyrrolidin-1-ylethyl)amino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidine-1-carboxylate;methane;4-N-piperidin-4-yl-2-N-[[1-[3-(2-pyrrolidin-1-ylethylamino)propyl]triazol-4-yl]methyl]quinazoline-2,4-diamine with MolForge

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Related Compounds

tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate
CID 118965415
tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate
CID 118965422
tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[[2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyridin-4-ylimidazol-1-yl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide;N-(5-pyrimidin-4-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide;N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide
CID 157175782
tert-butyl N-methyl-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)carbamate;3-tert-butyl-1-methyl-1-(3-methyl-1-pyrimidin-5-ylpyrazol-4-yl)urea;tert-butyl N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamate;tert-butyl N-methyl-N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-methyl-N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyridin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate;tert-butyl N-[1-pyrimidin-5-yl-3-(trifluoromethyl)pyrazol-4-yl]carbamate
CID 157286162
Tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;bis(6-(1-cyclohexylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridine)
CID 157303422
3-[4-Fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea
CID 157426435
3-[4-Fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-yl]urea
CID 157718378
3-(2-bromoethyl)-1H-indole;tert-butyl N-cyclohexyl-N-[3-[3-[4-[[[4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[(4-piperidin-1-ylquinazolin-2-yl)amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;1-[4-(2-chloroquinazolin-4-yl)piperazin-1-yl]-2,2,2-trifluoroethanone;2,4-dichloroquinazoline;methane
CID 157876622
Tert-butyl 4-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-[difluoro-[6-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline;methane
CID 159036506
3-[4-Fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea
CID 159222896
1-(4-Fluoro-2-methylphenyl)-3-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrazino[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[1-(2-methylpyrazol-3-yl)pyridazino[4,5-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea
CID 159479273
Bis(3-(2,4-difluorophenyl)-1-methyl-1-[1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-yl]urea);1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]urea
CID 160090834

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-N-(2-pyrrolidin-1-ylethyl)carbamate;tert-butyl 4-[(2-chloroquinazolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[[1-[3-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyrrolidin-1-ylethyl)amino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidine-1-carboxylate;methane;4-N-piperidin-4-yl-2-N-[[1-[3-(2-pyrrolidin-1-ylethylamino)propyl]triazol-4-yl]methyl]quinazoline-2,4-diamine?
The IUPAC name of tert-butyl N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-N-(2-pyrrolidin-1-ylethyl)carbamate;tert-butyl 4-[(2-chloroquinazolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[[1-[3-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyrrolidin-1-ylethyl)amino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidine-1-carboxylate;methane;4-N-piperidin-4-yl-2-N-[[1-[3-(2-pyrrolidin-1-ylethylamino)propyl]triazol-4-yl]methyl]quinazoline-2,4-diamine (CID 158439818) is tert-butyl N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-N-(2-pyrrolidin-1-ylethyl)carbamate;tert-butyl 4-[(2-chloroquinazolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[[1-[3-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyrrolidin-1-ylethyl)amino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidine-1-carboxylate;methane;4-N-piperidin-4-yl-2-N-[[1-[3-(2-pyrrolidin-1-ylethylamino)propyl]triazol-4-yl]methyl]quinazoline-2,4-diamine.
What is the SMILES notation for tert-butyl N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-N-(2-pyrrolidin-1-ylethyl)carbamate;tert-butyl 4-[(2-chloroquinazolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[[1-[3-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyrrolidin-1-ylethyl)amino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidine-1-carboxylate;methane;4-N-piperidin-4-yl-2-N-[[1-[3-(2-pyrrolidin-1-ylethylamino)propyl]triazol-4-yl]methyl]quinazoline-2,4-diamine?
The canonical SMILES for tert-butyl N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-N-(2-pyrrolidin-1-ylethyl)carbamate;tert-butyl 4-[(2-chloroquinazolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[[1-[3-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyrrolidin-1-ylethyl)amino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidine-1-carboxylate;methane;4-N-piperidin-4-yl-2-N-[[1-[3-(2-pyrrolidin-1-ylethylamino)propyl]triazol-4-yl]methyl]quinazoline-2,4-diamine is C.C.C.CC(C)(C)OC(=O)N(CCCn1cc(CN)nn1)CCN1CCCC1.CC(C)(C)OC(=O)N1CCC(Nc2nc(Cl)nc3ccccc23)CC1.CC(C)(C)OC(=O)N1CCC(Nc2nc(NCc3cn(CCCN(CCN4CCCC4)C(=O)OC(C)(C)C)nn3)nc3ccccc23)CC1.c1ccc2c(NC3CCNCC3)nc(NCc3cn(CCCNCCN4CCCC4)nn3)nc2c1.
What is the InChIKey of tert-butyl N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-N-(2-pyrrolidin-1-ylethyl)carbamate;tert-butyl 4-[(2-chloroquinazolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[[1-[3-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyrrolidin-1-ylethyl)amino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidine-1-carboxylate;methane;4-N-piperidin-4-yl-2-N-[[1-[3-(2-pyrrolidin-1-ylethylamino)propyl]triazol-4-yl]methyl]quinazoline-2,4-diamine?
The InChIKey is HCRGLMGAHPGNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H54N10O4.C25H38N10.C18H23ClN4O2.C17H32N6O2.3CH4/c1-34(2,3)48-32(46)43(23-22-42-16-9-10-17-42)18-11-19-45-25-27(40-41-45)24-36-31-38-29-13-8-7-12-28(29)30(39-31)37-26-14-20-44(21-15-26)33(47)49-35(4,5)6;1-2-7-23-22(6-1)24(29-20-8-11-27-12-9-20)31-25(30-23)28-18-21-19-35(33-32-21)16-5-10-26-13-17-34-14-3-4-15-34;1-18(2,3)25-17(24)23-10-8-12(9-11-23)20-15-13-6-4-5-7-14(13)21-16(19)22-15;1-17(2,3)25-16(24)22(12-11-21-7-4-5-8-21)9-6-10-23-14-15(13-18)19-20-23;;;/h7-8,12-13,25-26H,9-11,14-24H2,1-6H3,(H2,36,37,38,39);1-2,6-7,19-20,26-27H,3-5,8-18H2,(H2,28,29,30,31);4-7,12H,8-11H2,1-3H3,(H,20,21,22);14H,4-13,18H2,1-3H3;3*1H4.
What are the key properties of tert-butyl N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-N-(2-pyrrolidin-1-ylethyl)carbamate;tert-butyl 4-[(2-chloroquinazolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[[1-[3-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyrrolidin-1-ylethyl)amino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidine-1-carboxylate;methane;4-N-piperidin-4-yl-2-N-[[1-[3-(2-pyrrolidin-1-ylethylamino)propyl]triazol-4-yl]methyl]quinazoline-2,4-diamine?
tert-butyl N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-N-(2-pyrrolidin-1-ylethyl)carbamate;tert-butyl 4-[(2-chloroquinazolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[[1-[3-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyrrolidin-1-ylethyl)amino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidine-1-carboxylate;methane;4-N-piperidin-4-yl-2-N-[[1-[3-(2-pyrrolidin-1-ylethylamino)propyl]triazol-4-yl]methyl]quinazoline-2,4-diamine has a molecular weight of 1921.00 g/mol, XLogP of 14.90, 34 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-N-(2-pyrrolidin-1-ylethyl)carbamate;tert-butyl 4-[(2-chloroquinazolin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[[1-[3-[(2-methylpropan-2-yl)oxycarbonyl-(2-pyrrolidin-1-ylethyl)amino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidine-1-carboxylate;methane;4-N-piperidin-4-yl-2-N-[[1-[3-(2-pyrrolidin-1-ylethylamino)propyl]triazol-4-yl]methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 158439818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).