tert-butyl N-ethyl-N-[[5-[3-[5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;4-phenylpiperidin-4-ol

C83H95N15O7 — CID 159396454

IUPACtert-butyl N-ethyl-N-[[5-[3-[5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;4-phenylpiperidin-4-ol
SMILESCCN(Cc1cncc(-c2ccc3c(c2)c(-c2ncc(C(=O)N4CCC(O)(c5ccccc5)CC4)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)N5CC=C(c6ccccc6)CC5)[nH]4)c3c2)c1C.OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C41H49N7O5.C31H31N7O.C11H15NO/c1-6-46(39(50)53-40(3,4)5)26-29-23-42-24-32(27(29)2)28-15-16-34-31(22-28)36(45-48(34)35-14-10-11-21-52-35)37-43-25-33(44-37)38(49)47-19-17-41(51,18-20-47)30-12-8-7-9-13-30;1-3-32-16-24-17-33-18-26(20(24)2)23-9-10-27-25(15-23)29(37-36-27)30-34-19-28(35-30)31(39)38-13-11-22(12-14-38)21-7-5-4-6-8-21;13-11(6-8-12-9-7-11)10-4-2-1-3-5-10/h7-9,12-13,15-16,22-25,35,51H,6,10-11,14,17-21,26H2,1-5H3,(H,43,44);4-11,15,17-19,32H,3,12-14,16H2,1-2H3,(H,34,35)(H,36,37);1-5,12-13H,6-9H2
InChIKeyLMTZBIZVTKFVIV-UHFFFAOYSA-N
MW1414.77 g/mol
LogP14.00
Rot. Bonds16

About tert-butyl N-ethyl-N-[[5-[3-[5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;4-phenylpiperidin-4-ol

tert-butyl N-ethyl-N-[[5-[3-[5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;4-phenylpiperidin-4-ol (PubChem CID 159396454) has the molecular formula C83H95N15O7 and a molecular weight of 1414.77 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[[5-[3-[5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;4-phenylpiperidin-4-ol.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[[5-[3-[5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;4-phenylpiperidin-4-ol
PubChem CID159396454
Molecular FormulaC83H95N15O7
Molecular Weight1414.77 g/mol
Exact Mass1413.75
IUPAC Nametert-butyl N-ethyl-N-[[5-[3-[5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;4-phenylpiperidin-4-ol
SMILESCCN(Cc1cncc(-c2ccc3c(c2)c(-c2ncc(C(=O)N4CCC(O)(c5ccccc5)CC4)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)N5CC=C(c6ccccc6)CC5)[nH]4)c3c2)c1C.OC1(c2ccccc2)CCNCC1
InChIInChI=1S/C41H49N7O5.C31H31N7O.C11H15NO/c1-6-46(39(50)53-40(3,4)5)26-29-23-42-24-32(27(29)2)28-15-16-34-31(22-28)36(45-48(34)35-14-10-11-21-52-35)37-43-25-33(44-37)38(49)47-19-17-41(51,18-20-47)30-12-8-7-9-13-30;1-3-32-16-24-17-33-18-26(20(24)2)23-9-10-27-25(15-23)29(37-36-27)30-34-19-28(35-30)31(39)38-13-11-22(12-14-38)21-7-5-4-6-8-21;13-11(6-8-12-9-7-11)10-4-2-1-3-5-10/h7-9,12-13,15-16,22-25,35,51H,6,10-11,14,17-21,26H2,1-5H3,(H,43,44);4-11,15,17-19,32H,3,12-14,16H2,1-2H3,(H,34,35)(H,36,37);1-5,12-13H,6-9H2
InChIKeyLMTZBIZVTKFVIV-UHFFFAOYSA-N
XLogP14.00
TPSA273.55 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001414.77
LogP ≤ 514.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze tert-butyl N-ethyl-N-[[5-[3-[5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;4-phenylpiperidin-4-ol with MolForge

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Related Compounds

tert-butyl N-[[5-[3-[5-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-ethylcarbamate
CID 135992362
[5-[3-[5-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl-ethylcarbamic acid
CID 136480422
1-[5-[3-[5-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]propan-2-ylcarbamic acid
CID 136480423
tert-butyl N-ethyl-N-[[4-methyl-5-[3-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-[[4-methyl-5-[3-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 158511885
tert-butyl N-ethyl-N-[[4-methyl-5-[3-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-[[4-methyl-5-[3-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 159249577
tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(pyridin-3-ylmethylcarbamoyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;dibromomethyl 2,2,2-trifluoroacetate;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(pyridin-3-ylmethyl)-1H-imidazole-5-carboxamide;2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-1H-imidazole-5-carboxylic acid;pyridin-3-ylmethanamine
CID 160472059
potassium;propanamide;2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol;hydroxide
CID 160907970
acetic acid;azane;tert-butyl N-ethyl-N-[[5-[3-[5-(ethylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-ethyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxamide;2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxylic acid;3,3,3-trifluoro-1-phenylpropane-1,2-dione
CID 160941564
tert-Butyl ethyl({4-methyl-5-[3-(5-{[(pyridin-2-ylmethyl)amino]carbonyl}-1H-imidazol-2-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-yl]pyridin-3-yl}methyl)carbamate
CID 135992072
tert-Butyl ethyl({4-methyl-5-[3-(5-{[4-(pyrimidin-2-ylmethyl)piperdin-1-yl]carbonyl}-1H-imidazol-2-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-yl]pyridin-3-yl}methyl)carbamate
CID 135992081
tert-Butyl 3-[({2-[5-(5-{[(tert-butoxycarbonyl)(ethyl)amino]methyl}-4-methylpyridin-3-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-3-yl]-1H-imidazol-5-yl)carbonyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 135992091
tert-Butyl ({5-[3-{5-[(4-benzylpiperazin-1-yl)carbonyl]-1H-imidazol-2-yl}-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-yl]-4-methylpyridin-3-yl}methyl)ethylcarbamate
CID 135992094

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[[5-[3-[5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;4-phenylpiperidin-4-ol?
The IUPAC name of tert-butyl N-ethyl-N-[[5-[3-[5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;4-phenylpiperidin-4-ol (CID 159396454) is tert-butyl N-ethyl-N-[[5-[3-[5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;4-phenylpiperidin-4-ol.
What is the SMILES notation for tert-butyl N-ethyl-N-[[5-[3-[5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;4-phenylpiperidin-4-ol?
The canonical SMILES for tert-butyl N-ethyl-N-[[5-[3-[5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;4-phenylpiperidin-4-ol is CCN(Cc1cncc(-c2ccc3c(c2)c(-c2ncc(C(=O)N4CCC(O)(c5ccccc5)CC4)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)N5CC=C(c6ccccc6)CC5)[nH]4)c3c2)c1C.OC1(c2ccccc2)CCNCC1.
What is the InChIKey of tert-butyl N-ethyl-N-[[5-[3-[5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;4-phenylpiperidin-4-ol?
The InChIKey is LMTZBIZVTKFVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49N7O5.C31H31N7O.C11H15NO/c1-6-46(39(50)53-40(3,4)5)26-29-23-42-24-32(27(29)2)28-15-16-34-31(22-28)36(45-48(34)35-14-10-11-21-52-35)37-43-25-33(44-37)38(49)47-19-17-41(51,18-20-47)30-12-8-7-9-13-30;1-3-32-16-24-17-33-18-26(20(24)2)23-9-10-27-25(15-23)29(37-36-27)30-34-19-28(35-30)31(39)38-13-11-22(12-14-38)21-7-5-4-6-8-21;13-11(6-8-12-9-7-11)10-4-2-1-3-5-10/h7-9,12-13,15-16,22-25,35,51H,6,10-11,14,17-21,26H2,1-5H3,(H,43,44);4-11,15,17-19,32H,3,12-14,16H2,1-2H3,(H,34,35)(H,36,37);1-5,12-13H,6-9H2.
What are the key properties of tert-butyl N-ethyl-N-[[5-[3-[5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;4-phenylpiperidin-4-ol?
tert-butyl N-ethyl-N-[[5-[3-[5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;4-phenylpiperidin-4-ol has a molecular weight of 1414.77 g/mol, XLogP of 14.00, 16 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[[5-[3-[5-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;4-phenylpiperidin-4-ol is sourced from PubChem (CID 159396454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).