bis(4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-4-phenylpentan-3-one);[1-[6-[4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-oxo-4-phenylpentyl]-2-pyridinyl]cyclobutyl] acetate;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;[1-[6-(aminomethyl)-2-pyridinyl]cyclobutyl] acetate;hydrochloride

C123H118ClN33O15 — CID 157245342

IUPACbis(4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-4-phenylpentan-3-one);[1-[6-[4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-oxo-4-phenylpentyl]-2-pyridinyl]cyclobutyl] acetate;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;[1-[6-(aminomethyl)-2-pyridinyl]cyclobutyl] acetate;hydrochloride
SMILESCC(=O)OC1(c2cccc(CCC(=O)C(C)(c3ccccc3)n3ncc4c3nc(N)n3nc(-c5ccco5)nc43)n2)CCC1.CC(=O)OC1(c2cccc(CN)n2)CCC1.CC(C(=O)CCc1cccc(C2(O)CCC2)n1)(c1ccccc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.CC(C(=O)CCc1cccc(C2(O)CCC2)n1)(c1ccccc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.CC(C(=O)O)(c1ccccc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.Cl
InChIInChI=1S/C32H30N8O4.2C30H28N8O3.C19H15N7O3.C12H16N2O2.ClH/c1-20(41)44-32(16-8-17-32)25-13-6-11-22(35-25)14-15-26(42)31(2,21-9-4-3-5-10-21)40-29-23(19-34-40)28-36-27(24-12-7-18-43-24)38-39(28)30(33)37-29;2*1-29(19-8-3-2-4-9-19,24(39)14-13-20-10-5-12-23(33-20)30(40)15-7-16-30)38-27-21(18-32-38)26-34-25(22-11-6-17-41-22)36-37(26)28(31)35-27;1-19(17(27)28,11-6-3-2-4-7-11)26-16-12(10-21-26)15-22-14(13-8-5-9-29-13)24-25(15)18(20)23-16;1-9(15)16-12(6-3-7-12)11-5-2-4-10(8-13)14-11;/h3-7,9-13,18-19H,8,14-17H2,1-2H3,(H2,33,37);2*2-6,8-12,17-18,40H,7,13-16H2,1H3,(H2,31,35);2-10H,1H3,(H2,20,23)(H,27,28);2,4-5H,3,6-8,13H2,1H3;1H
InChIKeyKLUHUJOVHPJXTD-UHFFFAOYSA-N
MW2333.97 g/mol
LogP16.78
Rot. Bonds32

About bis(4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-4-phenylpentan-3-one);[1-[6-[4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-oxo-4-phenylpentyl]-2-pyridinyl]cyclobutyl] acetate;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;[1-[6-(aminomethyl)-2-pyridinyl]cyclobutyl] acetate;hydrochloride

bis(4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-4-phenylpentan-3-one);[1-[6-[4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-oxo-4-phenylpentyl]-2-pyridinyl]cyclobutyl] acetate;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;[1-[6-(aminomethyl)-2-pyridinyl]cyclobutyl] acetate;hydrochloride (PubChem CID 157245342) has the molecular formula C123H118ClN33O15 and a molecular weight of 2333.97 g/mol. Its IUPAC name is bis(4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-4-phenylpentan-3-one);[1-[6-[4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-oxo-4-phenylpentyl]-2-pyridinyl]cyclobutyl] acetate;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;[1-[6-(aminomethyl)-2-pyridinyl]cyclobutyl] acetate;hydrochloride.

Molecular Properties

Compound Namebis(4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-4-phenylpentan-3-one);[1-[6-[4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-oxo-4-phenylpentyl]-2-pyridinyl]cyclobutyl] acetate;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;[1-[6-(aminomethyl)-2-pyridinyl]cyclobutyl] acetate;hydrochloride
PubChem CID157245342
Molecular FormulaC123H118ClN33O15
Molecular Weight2333.97 g/mol
Exact Mass2331.92
IUPAC Namebis(4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-4-phenylpentan-3-one);[1-[6-[4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-oxo-4-phenylpentyl]-2-pyridinyl]cyclobutyl] acetate;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;[1-[6-(aminomethyl)-2-pyridinyl]cyclobutyl] acetate;hydrochloride
SMILESCC(=O)OC1(c2cccc(CCC(=O)C(C)(c3ccccc3)n3ncc4c3nc(N)n3nc(-c5ccco5)nc43)n2)CCC1.CC(=O)OC1(c2cccc(CN)n2)CCC1.CC(C(=O)CCc1cccc(C2(O)CCC2)n1)(c1ccccc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.CC(C(=O)CCc1cccc(C2(O)CCC2)n1)(c1ccccc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.CC(C(=O)O)(c1ccccc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.Cl
InChIInChI=1S/C32H30N8O4.2C30H28N8O3.C19H15N7O3.C12H16N2O2.ClH/c1-20(41)44-32(16-8-17-32)25-13-6-11-22(35-25)14-15-26(42)31(2,21-9-4-3-5-10-21)40-29-23(19-34-40)28-36-27(24-12-7-18-43-24)38-39(28)30(33)37-29;2*1-29(19-8-3-2-4-9-19,24(39)14-13-20-10-5-12-23(33-20)30(40)15-7-16-30)38-27-21(18-32-38)26-34-25(22-11-6-17-41-22)36-37(26)28(31)35-27;1-19(17(27)28,11-6-3-2-4-7-11)26-16-12(10-21-26)15-22-14(13-8-5-9-29-13)24-25(15)18(20)23-16;1-9(15)16-12(6-3-7-12)11-5-2-4-10(8-13)14-11;/h3-7,9-13,18-19H,8,14-17H2,1-2H3,(H2,33,37);2*2-6,8-12,17-18,40H,7,13-16H2,1H3,(H2,31,35);2-10H,1H3,(H2,20,23)(H,27,28);2,4-5H,3,6-8,13H2,1H3;1H
InChIKeyKLUHUJOVHPJXTD-UHFFFAOYSA-N
XLogP16.78
TPSA659.39 Ų
H-Bond Donors8
H-Bond Acceptors47
Rotatable Bonds32
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002333.97
LogP ≤ 516.78
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1047

Analyze bis(4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-4-phenylpentan-3-one);[1-[6-[4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-oxo-4-phenylpentyl]-2-pyridinyl]cyclobutyl] acetate;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;[1-[6-(aminomethyl)-2-pyridinyl]cyclobutyl] acetate;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

US11472811, Example 18B
CID 146186246
US11472811, Example 18
CID 146186301
US11472811, Example 18A
CID 146186245
US11472811, Example 130
CID 146186273
7-Amino-10-[2-[4-[5-[4-[6-[7-amino-10-[2-[4-[4-(carboxymethoxy)phenyl]piperazin-1-yl]ethyl]-11-methoxycarbonyl-12-methyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]-3-pyridinyl]-1,3-oxazol-2-yl]-2-fluorophenyl]-1,4-diazepan-1-yl]ethyl]-12-methyl-4-pyridin-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylic acid
CID 155579689
7-Amino-4-[5-[2-[3-[4-[2-[7-amino-11-(methylcarbamoyl)-4-pyridin-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]-4-fluorophenyl]-1,3-oxazol-4-yl]-2-pyridinyl]-10-[2-[4-[2-fluoro-5-(1,3-oxazol-2-yl)phenyl]piperazin-1-yl]ethyl]-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylic acid
CID 155579735
acetic acid;6-(azepan-1-yl)-1-methyl-3-[[(2R)-2-methyl-3-pyrrolidin-1-ylpropoxy]methyl]pyrazolo[3,4-b]pyridine;6-(azepan-1-yl)-1-methyl-3-[[(2S)-2-methyl-3-pyrrolidin-1-ylpropoxy]methyl]pyrazolo[3,4-b]pyridine;6-(azepan-1-yl)-1-methyl-3-(4-pyrrolidin-1-ylbutoxymethyl)pyrazolo[3,4-b]pyridine;2-cyclohexyl-1-[6-(1,4-diazepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]ethanone;N-cyclohexyl-5-(diethylamino)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-5-(furan-3-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;2-cyclohexyl-1-[1-methyl-6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]pyrazolo[5,4-b]pyridin-3-yl]ethanone;dodecakis(2,2,2-trifluoroacetic acid)
CID 159712247
[1-[4-[[6-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-2,3-dihydropyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid;[1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;methane
CID 160710673
2-Cyclohexyl-1-[6-(cyclohexylmethoxy)-1-methylpyrazolo[5,4-b]pyridin-3-yl]ethanone;2-cyclohexyl-1-[1-methyl-6-(2-morpholin-4-ylethoxy)pyrazolo[5,4-b]pyridin-3-yl]ethanone;2-cyclohexyl-1-[1-methyl-6-(3-morpholin-4-ylpropoxy)pyrazolo[5,4-b]pyridin-3-yl]ethanone;2-cyclohexyl-1-[1-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[5,4-b]pyridin-3-yl]ethanone;2-cyclohexyl-1-[1-methyl-6-(pyrrolidin-2-ylmethoxy)pyrazolo[5,4-b]pyridin-3-yl]ethanone;hexakis(2,2,2-trifluoroacetic acid)
CID 161524335
6-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;1-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid;methane
CID 161548971
Bis[2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-benzyl-4-hydroxypiperidin-1-yl]methanone
CID 140045903
Bis[2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-4-hydroxy-4-phenylpiperidin-1-yl]methanone
CID 140126997

Frequently Asked Questions

What is the IUPAC name of bis(4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-4-phenylpentan-3-one);[1-[6-[4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-oxo-4-phenylpentyl]-2-pyridinyl]cyclobutyl] acetate;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;[1-[6-(aminomethyl)-2-pyridinyl]cyclobutyl] acetate;hydrochloride?
The IUPAC name of bis(4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-4-phenylpentan-3-one);[1-[6-[4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-oxo-4-phenylpentyl]-2-pyridinyl]cyclobutyl] acetate;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;[1-[6-(aminomethyl)-2-pyridinyl]cyclobutyl] acetate;hydrochloride (CID 157245342) is bis(4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-4-phenylpentan-3-one);[1-[6-[4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-oxo-4-phenylpentyl]-2-pyridinyl]cyclobutyl] acetate;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;[1-[6-(aminomethyl)-2-pyridinyl]cyclobutyl] acetate;hydrochloride.
What is the SMILES notation for bis(4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-4-phenylpentan-3-one);[1-[6-[4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-oxo-4-phenylpentyl]-2-pyridinyl]cyclobutyl] acetate;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;[1-[6-(aminomethyl)-2-pyridinyl]cyclobutyl] acetate;hydrochloride?
The canonical SMILES for bis(4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-4-phenylpentan-3-one);[1-[6-[4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-oxo-4-phenylpentyl]-2-pyridinyl]cyclobutyl] acetate;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;[1-[6-(aminomethyl)-2-pyridinyl]cyclobutyl] acetate;hydrochloride is CC(=O)OC1(c2cccc(CCC(=O)C(C)(c3ccccc3)n3ncc4c3nc(N)n3nc(-c5ccco5)nc43)n2)CCC1.CC(=O)OC1(c2cccc(CN)n2)CCC1.CC(C(=O)CCc1cccc(C2(O)CCC2)n1)(c1ccccc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.CC(C(=O)CCc1cccc(C2(O)CCC2)n1)(c1ccccc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.CC(C(=O)O)(c1ccccc1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.Cl.
What is the InChIKey of bis(4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-4-phenylpentan-3-one);[1-[6-[4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-oxo-4-phenylpentyl]-2-pyridinyl]cyclobutyl] acetate;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;[1-[6-(aminomethyl)-2-pyridinyl]cyclobutyl] acetate;hydrochloride?
The InChIKey is KLUHUJOVHPJXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N8O4.2C30H28N8O3.C19H15N7O3.C12H16N2O2.ClH/c1-20(41)44-32(16-8-17-32)25-13-6-11-22(35-25)14-15-26(42)31(2,21-9-4-3-5-10-21)40-29-23(19-34-40)28-36-27(24-12-7-18-43-24)38-39(28)30(33)37-29;2*1-29(19-8-3-2-4-9-19,24(39)14-13-20-10-5-12-23(33-20)30(40)15-7-16-30)38-27-21(18-32-38)26-34-25(22-11-6-17-41-22)36-37(26)28(31)35-27;1-19(17(27)28,11-6-3-2-4-7-11)26-16-12(10-21-26)15-22-14(13-8-5-9-29-13)24-25(15)18(20)23-16;1-9(15)16-12(6-3-7-12)11-5-2-4-10(8-13)14-11;/h3-7,9-13,18-19H,8,14-17H2,1-2H3,(H2,33,37);2*2-6,8-12,17-18,40H,7,13-16H2,1H3,(H2,31,35);2-10H,1H3,(H2,20,23)(H,27,28);2,4-5H,3,6-8,13H2,1H3;1H.
What are the key properties of bis(4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-4-phenylpentan-3-one);[1-[6-[4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-oxo-4-phenylpentyl]-2-pyridinyl]cyclobutyl] acetate;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;[1-[6-(aminomethyl)-2-pyridinyl]cyclobutyl] acetate;hydrochloride?
bis(4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-4-phenylpentan-3-one);[1-[6-[4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-oxo-4-phenylpentyl]-2-pyridinyl]cyclobutyl] acetate;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;[1-[6-(aminomethyl)-2-pyridinyl]cyclobutyl] acetate;hydrochloride has a molecular weight of 2333.97 g/mol, XLogP of 16.78, 32 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-1-[6-(1-hydroxycyclobutyl)-2-pyridinyl]-4-phenylpentan-3-one);[1-[6-[4-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-3-oxo-4-phenylpentyl]-2-pyridinyl]cyclobutyl] acetate;2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-phenylpropanoic acid;[1-[6-(aminomethyl)-2-pyridinyl]cyclobutyl] acetate;hydrochloride is sourced from PubChem (CID 157245342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).