N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-morpholin-4-ylethanamine;N-ethyl-3-[2-(4-methylphenoxy)ethoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)aniline;[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylazanium;1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-4-pyrrolidin-1-ylsulfonylbutan-1-one

C86H110N13O13S2+ — CID 159520518

IUPACN-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-morpholin-4-ylethanamine;N-ethyl-3-[2-(4-methylphenoxy)ethoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)aniline;[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylazanium;1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-4-pyrrolidin-1-ylsulfonylbutan-1-one
SMILESCCN(Cc1cnn2cccnc12)c1cccc(OCCOc2ccc(C)cc2)c1.CCOc1cc(CNCCN2CCOCC2)ccc1OCc1cccs1.COc1ccc(OC[C@H](O)C[NH+](C)Cc2c(-c3ccco3)[nH]c3ncccc23)cc1.O=C(CCCS(=O)(=O)N1CCCC1)c1cccnc1N1CCN(CCO)CC1
InChIInChI=1S/C24H26N4O2.C23H25N3O4.C20H28N2O3S.C19H30N4O4S/c1-3-27(18-20-17-26-28-13-5-12-25-24(20)28)21-6-4-7-23(16-21)30-15-14-29-22-10-8-19(2)9-11-22;1-26(13-16(27)15-30-18-9-7-17(28-2)8-10-18)14-20-19-5-3-11-24-23(19)25-22(20)21-6-4-12-29-21;1-2-24-20-14-17(15-21-7-8-22-9-11-23-12-10-22)5-6-19(20)25-16-18-4-3-13-26-18;24-15-14-21-10-12-22(13-11-21)19-17(5-3-7-20-19)18(25)6-4-16-28(26,27)23-8-1-2-9-23/h4-13,16-17H,3,14-15,18H2,1-2H3;3-12,16,27H,13-15H2,1-2H3,(H,24,25);3-6,13-14,21H,2,7-12,15-16H2,1H3;3,5,7,24H,1-2,4,6,8-16H2/p+1/t;16-;;/m.1../s1
InChIKeyMBSWYPITKGEFJE-WMVBMBIMSA-O
MW1598.04 g/mol
LogP10.54
Rot. Bonds37

About N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-morpholin-4-ylethanamine;N-ethyl-3-[2-(4-methylphenoxy)ethoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)aniline;[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylazanium;1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-4-pyrrolidin-1-ylsulfonylbutan-1-one

N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-morpholin-4-ylethanamine;N-ethyl-3-[2-(4-methylphenoxy)ethoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)aniline;[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylazanium;1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-4-pyrrolidin-1-ylsulfonylbutan-1-one (PubChem CID 159520518) has the molecular formula C86H110N13O13S2+ and a molecular weight of 1598.04 g/mol. Its IUPAC name is N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-morpholin-4-ylethanamine;N-ethyl-3-[2-(4-methylphenoxy)ethoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)aniline;[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylazanium;1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-4-pyrrolidin-1-ylsulfonylbutan-1-one.

Molecular Properties

Compound NameN-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-morpholin-4-ylethanamine;N-ethyl-3-[2-(4-methylphenoxy)ethoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)aniline;[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylazanium;1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-4-pyrrolidin-1-ylsulfonylbutan-1-one
PubChem CID159520518
Molecular FormulaC86H110N13O13S2+
Molecular Weight1598.04 g/mol
Exact Mass1596.78
IUPAC NameN-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-morpholin-4-ylethanamine;N-ethyl-3-[2-(4-methylphenoxy)ethoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)aniline;[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylazanium;1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-4-pyrrolidin-1-ylsulfonylbutan-1-one
SMILESCCN(Cc1cnn2cccnc12)c1cccc(OCCOc2ccc(C)cc2)c1.CCOc1cc(CNCCN2CCOCC2)ccc1OCc1cccs1.COc1ccc(OC[C@H](O)C[NH+](C)Cc2c(-c3ccco3)[nH]c3ncccc23)cc1.O=C(CCCS(=O)(=O)N1CCCC1)c1cccnc1N1CCN(CCO)CC1
InChIInChI=1S/C24H26N4O2.C23H25N3O4.C20H28N2O3S.C19H30N4O4S/c1-3-27(18-20-17-26-28-13-5-12-25-24(20)28)21-6-4-7-23(16-21)30-15-14-29-22-10-8-19(2)9-11-22;1-26(13-16(27)15-30-18-9-7-17(28-2)8-10-18)14-20-19-5-3-11-24-23(19)25-22(20)21-6-4-12-29-21;1-2-24-20-14-17(15-21-7-8-22-9-11-23-12-10-22)5-6-19(20)25-16-18-4-3-13-26-18;24-15-14-21-10-12-22(13-11-21)19-17(5-3-7-20-19)18(25)6-4-16-28(26,27)23-8-1-2-9-23/h4-13,16-17H,3,14-15,18H2,1-2H3;3-12,16,27H,13-15H2,1-2H3,(H,24,25);3-6,13-14,21H,2,7-12,15-16H2,1H3;3,5,7,24H,1-2,4,6,8-16H2/p+1/t;16-;;/m.1../s1
InChIKeyMBSWYPITKGEFJE-WMVBMBIMSA-O
XLogP10.54
TPSA273.85 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds37
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001598.04
LogP ≤ 510.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-morpholin-4-ylethanamine;N-ethyl-3-[2-(4-methylphenoxy)ethoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)aniline;[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylazanium;1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-4-pyrrolidin-1-ylsulfonylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(furan-2-yl)-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-3-yl)-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-N-methyl-3-thiophen-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 157554412
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 158151935
3-(furan-2-yl)-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-3-yl)-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 160624768
(2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-cyclopenta-1,4-dien-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 160713372
2,5-dimethylfuro[2,3-c]pyridine;2,6-dimethylfuro[3,2-c]pyridine;3,5-dimethylfuro[2,3-c]pyridine;3,6-dimethylfuro[3,2-c]pyridine;1,5-dimethylpyrazolo[4,5-b]pyridine;1,6-dimethylpyrazolo[4,5-b]pyridine;3,5-dimethyl-2H-pyrazolo[4,3-b]pyridine;3,6-dimethyl-2H-pyrazolo[4,3-b]pyridine;1,5-dimethylpyrrolo[2,3-c]pyridine;1,6-dimethylpyrrolo[3,2-c]pyridine;2,5-dimethyl-1H-pyrrolo[2,3-c]pyridine;2,6-dimethyl-1H-pyrrolo[3,2-c]pyridine;3,5-dimethyl-1H-pyrrolo[2,3-c]pyridine;3,6-dimethyl-1H-pyrrolo[3,2-c]pyridine;2,5-dimethylthieno[2,3-c]pyridine;2,6-dimethylthieno[3,2-c]pyridine;3,5-dimethylthieno[2,3-c]pyridine;3,6-dimethylthieno[3,2-c]pyridine;1,5-dimethyltriazolo[4,5-b]pyridine;1,6-dimethyltriazolo[4,5-b]pyridine;methane
CID 160725459
3-cyclopenta-1,4-dien-1-yl-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 160780917
(2R,3S,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(2H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 161780191
(2S,3S)-3-[[4-[[6-(furan-2-yl)-3-pyridinyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,2,4-triol;2-[[4-[[6-(furan-2-yl)-3-pyridinyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,3-diol;2-[[8-propan-2-yl-4-[(4-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,3-diol
CID 161810171
1-[3-[4-(1-benzofuran-2-yl)-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;(2R)-1-[3-[4-[cyclohexyl(methyl)amino]-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 161960915
N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;(R)-[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanol;[1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-yl]-thiophen-2-ylmethanone;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)triazolo[4,5-b]pyridin-5-amine
CID 167533081
N-(furan-3-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-6-amine;methane;3-(4-methylsulfonylphenyl)-N-phenylfuro[3,2-b]pyridin-5-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridin-6-amine;1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-6-amine;7-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 167705898

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-morpholin-4-ylethanamine;N-ethyl-3-[2-(4-methylphenoxy)ethoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)aniline;[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylazanium;1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-4-pyrrolidin-1-ylsulfonylbutan-1-one?
The IUPAC name of N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-morpholin-4-ylethanamine;N-ethyl-3-[2-(4-methylphenoxy)ethoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)aniline;[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylazanium;1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-4-pyrrolidin-1-ylsulfonylbutan-1-one (CID 159520518) is N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-morpholin-4-ylethanamine;N-ethyl-3-[2-(4-methylphenoxy)ethoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)aniline;[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylazanium;1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-4-pyrrolidin-1-ylsulfonylbutan-1-one.
What is the SMILES notation for N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-morpholin-4-ylethanamine;N-ethyl-3-[2-(4-methylphenoxy)ethoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)aniline;[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylazanium;1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-4-pyrrolidin-1-ylsulfonylbutan-1-one?
The canonical SMILES for N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-morpholin-4-ylethanamine;N-ethyl-3-[2-(4-methylphenoxy)ethoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)aniline;[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylazanium;1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-4-pyrrolidin-1-ylsulfonylbutan-1-one is CCN(Cc1cnn2cccnc12)c1cccc(OCCOc2ccc(C)cc2)c1.CCOc1cc(CNCCN2CCOCC2)ccc1OCc1cccs1.COc1ccc(OC[C@H](O)C[NH+](C)Cc2c(-c3ccco3)[nH]c3ncccc23)cc1.O=C(CCCS(=O)(=O)N1CCCC1)c1cccnc1N1CCN(CCO)CC1.
What is the InChIKey of N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-morpholin-4-ylethanamine;N-ethyl-3-[2-(4-methylphenoxy)ethoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)aniline;[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylazanium;1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-4-pyrrolidin-1-ylsulfonylbutan-1-one?
The InChIKey is MBSWYPITKGEFJE-WMVBMBIMSA-O. The full InChI is InChI=1S/C24H26N4O2.C23H25N3O4.C20H28N2O3S.C19H30N4O4S/c1-3-27(18-20-17-26-28-13-5-12-25-24(20)28)21-6-4-7-23(16-21)30-15-14-29-22-10-8-19(2)9-11-22;1-26(13-16(27)15-30-18-9-7-17(28-2)8-10-18)14-20-19-5-3-11-24-23(19)25-22(20)21-6-4-12-29-21;1-2-24-20-14-17(15-21-7-8-22-9-11-23-12-10-22)5-6-19(20)25-16-18-4-3-13-26-18;24-15-14-21-10-12-22(13-11-21)19-17(5-3-7-20-19)18(25)6-4-16-28(26,27)23-8-1-2-9-23/h4-13,16-17H,3,14-15,18H2,1-2H3;3-12,16,27H,13-15H2,1-2H3,(H,24,25);3-6,13-14,21H,2,7-12,15-16H2,1H3;3,5,7,24H,1-2,4,6,8-16H2/p+1/t;16-;;/m.1../s1.
What are the key properties of N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-morpholin-4-ylethanamine;N-ethyl-3-[2-(4-methylphenoxy)ethoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)aniline;[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylazanium;1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-4-pyrrolidin-1-ylsulfonylbutan-1-one?
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-morpholin-4-ylethanamine;N-ethyl-3-[2-(4-methylphenoxy)ethoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)aniline;[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylazanium;1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-4-pyrrolidin-1-ylsulfonylbutan-1-one has a molecular weight of 1598.04 g/mol, XLogP of 10.54, 37 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-morpholin-4-ylethanamine;N-ethyl-3-[2-(4-methylphenoxy)ethoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)aniline;[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylazanium;1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-4-pyrrolidin-1-ylsulfonylbutan-1-one is sourced from PubChem (CID 159520518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).