2-aminopyridine-3-carbaldehyde;1-benzyl-5-fluorotetrazole;2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid;2-(3-bromopropyl)-2-methyl-1,3-dioxolane;carbanide;ethyl acetate;ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 3-(4-hydroxyphenyl)-2-methylpropanoate;ethyl 2-methyl-3-[4-[3-(1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-methyl-3-[4-(4-oxopentoxy)phenyl]propanoate;methane;2-methyloxolane;molecular hydrogen;palladium

C169H234BrFN25O25Pd- — CID 157484086

IUPAC2-aminopyridine-3-carbaldehyde;1-benzyl-5-fluorotetrazole;2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid;2-(3-bromopropyl)-2-methyl-1,3-dioxolane;carbanide;ethyl acetate;ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 3-(4-hydroxyphenyl)-2-methylpropanoate;ethyl 2-methyl-3-[4-[3-(1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-methyl-3-[4-(4-oxopentoxy)phenyl]propanoate;methane;2-methyloxolane;molecular hydrogen;palladium
SMILESC.C.C.C.C.C.CC1(CCCBr)OCCO1.CC1CCCO1.CCOC(=O)C(C)Cc1ccc(O)cc1.CCOC(=O)C(C)Cc1ccc(OCCCC(C)=O)cc1.CCOC(=O)C(C)Cc1ccc(OCCCc2ccc3cccnc3n2)cc1.CCOC(=O)C(Cc1ccc(OCCCc2ccc3c(n2)NCCC3)cc1)Nc1nnnn1Cc1ccccc1.CCOC(=O)C(N)Cc1ccc(OCCCc2ccc3c(n2)NCCC3)cc1.CCOC(C)=O.Fc1nnnn1Cc1ccccc1.Nc1ncccc1C=O.O=C(O)C(Cc1ccc(OCCCc2ccc3c(n2)NCCC3)cc1)Nc1nnnn1Cc1ccccc1.[CH3-].[H][H].[Pd]
InChIInChI=1S/C30H35N7O3.C28H31N7O3.C23H26N2O3.C22H29N3O3.C17H24O4.C12H16O3.C8H7FN4.C7H13BrO2.C6H6N2O.C5H10O.C4H8O2.6CH4.CH3.Pd.H2/c1-2-39-29(38)27(33-30-34-35-36-37(30)21-23-8-4-3-5-9-23)20-22-12-16-26(17-13-22)40-19-7-11-25-15-14-24-10-6-18-31-28(24)32-25;36-27(37)25(31-28-32-33-34-35(28)19-21-6-2-1-3-7-21)18-20-10-14-24(15-11-20)38-17-5-9-23-13-12-22-8-4-16-29-26(22)30-23;1-3-27-23(26)17(2)16-18-8-12-21(13-9-18)28-15-5-7-20-11-10-19-6-4-14-24-22(19)25-20;1-2-27-22(26)20(23)15-16-7-11-19(12-8-16)28-14-4-6-18-10-9-17-5-3-13-24-21(17)25-18;1-4-20-17(19)13(2)12-15-7-9-16(10-8-15)21-11-5-6-14(3)18;1-3-15-12(14)9(2)8-10-4-6-11(13)7-5-10;9-8-10-11-12-13(8)6-7-4-2-1-3-5-7;1-7(3-2-4-8)9-5-6-10-7;7-6-5(4-9)2-1-3-8-6;1-5-3-2-4-6-5;1-3-6-4(2)5;;;;;;;;;/h3-5,8-9,12-17,27H,2,6-7,10-11,18-21H2,1H3,(H,31,32)(H,33,34,36);1-3,6-7,10-15,25H,4-5,8-9,16-19H2,(H,29,30)(H,36,37)(H,31,32,34);4,6,8-14,17H,3,5,7,15-16H2,1-2H3;7-12,20H,2-6,13-15,23H2,1H3,(H,24,25);7-10,13H,4-6,11-12H2,1-3H3;4-7,9,13H,3,8H2,1-2H3;1-5H,6H2;2-6H2,1H3;1-4H,(H2,7,8);5H,2-4H2,1H3;3H2,1-2H3;6*1H4;1H3;;1H/q;;;;;;;;;;;;;;;;;-1;;
InChIKeyBLYOQXUWXKIXRU-UHFFFAOYSA-N
MW3221.20 g/mol
LogP29.77
Rot. Bonds63

About 2-aminopyridine-3-carbaldehyde;1-benzyl-5-fluorotetrazole;2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid;2-(3-bromopropyl)-2-methyl-1,3-dioxolane;carbanide;ethyl acetate;ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 3-(4-hydroxyphenyl)-2-methylpropanoate;ethyl 2-methyl-3-[4-[3-(1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-methyl-3-[4-(4-oxopentoxy)phenyl]propanoate;methane;2-methyloxolane;molecular hydrogen;palladium

2-aminopyridine-3-carbaldehyde;1-benzyl-5-fluorotetrazole;2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid;2-(3-bromopropyl)-2-methyl-1,3-dioxolane;carbanide;ethyl acetate;ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 3-(4-hydroxyphenyl)-2-methylpropanoate;ethyl 2-methyl-3-[4-[3-(1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-methyl-3-[4-(4-oxopentoxy)phenyl]propanoate;methane;2-methyloxolane;molecular hydrogen;palladium (PubChem CID 157484086) has the molecular formula C169H234BrFN25O25Pd- and a molecular weight of 3221.20 g/mol. Its IUPAC name is 2-aminopyridine-3-carbaldehyde;1-benzyl-5-fluorotetrazole;2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid;2-(3-bromopropyl)-2-methyl-1,3-dioxolane;carbanide;ethyl acetate;ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 3-(4-hydroxyphenyl)-2-methylpropanoate;ethyl 2-methyl-3-[4-[3-(1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-methyl-3-[4-(4-oxopentoxy)phenyl]propanoate;methane;2-methyloxolane;molecular hydrogen;palladium.

Molecular Properties

Compound Name2-aminopyridine-3-carbaldehyde;1-benzyl-5-fluorotetrazole;2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid;2-(3-bromopropyl)-2-methyl-1,3-dioxolane;carbanide;ethyl acetate;ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 3-(4-hydroxyphenyl)-2-methylpropanoate;ethyl 2-methyl-3-[4-[3-(1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-methyl-3-[4-(4-oxopentoxy)phenyl]propanoate;methane;2-methyloxolane;molecular hydrogen;palladium
PubChem CID157484086
Molecular FormulaC169H234BrFN25O25Pd-
Molecular Weight3221.20 g/mol
Exact Mass3217.60
IUPAC Name2-aminopyridine-3-carbaldehyde;1-benzyl-5-fluorotetrazole;2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid;2-(3-bromopropyl)-2-methyl-1,3-dioxolane;carbanide;ethyl acetate;ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 3-(4-hydroxyphenyl)-2-methylpropanoate;ethyl 2-methyl-3-[4-[3-(1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-methyl-3-[4-(4-oxopentoxy)phenyl]propanoate;methane;2-methyloxolane;molecular hydrogen;palladium
SMILESC.C.C.C.C.C.CC1(CCCBr)OCCO1.CC1CCCO1.CCOC(=O)C(C)Cc1ccc(O)cc1.CCOC(=O)C(C)Cc1ccc(OCCCC(C)=O)cc1.CCOC(=O)C(C)Cc1ccc(OCCCc2ccc3cccnc3n2)cc1.CCOC(=O)C(Cc1ccc(OCCCc2ccc3c(n2)NCCC3)cc1)Nc1nnnn1Cc1ccccc1.CCOC(=O)C(N)Cc1ccc(OCCCc2ccc3c(n2)NCCC3)cc1.CCOC(C)=O.Fc1nnnn1Cc1ccccc1.Nc1ncccc1C=O.O=C(O)C(Cc1ccc(OCCCc2ccc3c(n2)NCCC3)cc1)Nc1nnnn1Cc1ccccc1.[CH3-].[H][H].[Pd]
InChIInChI=1S/C30H35N7O3.C28H31N7O3.C23H26N2O3.C22H29N3O3.C17H24O4.C12H16O3.C8H7FN4.C7H13BrO2.C6H6N2O.C5H10O.C4H8O2.6CH4.CH3.Pd.H2/c1-2-39-29(38)27(33-30-34-35-36-37(30)21-23-8-4-3-5-9-23)20-22-12-16-26(17-13-22)40-19-7-11-25-15-14-24-10-6-18-31-28(24)32-25;36-27(37)25(31-28-32-33-34-35(28)19-21-6-2-1-3-7-21)18-20-10-14-24(15-11-20)38-17-5-9-23-13-12-22-8-4-16-29-26(22)30-23;1-3-27-23(26)17(2)16-18-8-12-21(13-9-18)28-15-5-7-20-11-10-19-6-4-14-24-22(19)25-20;1-2-27-22(26)20(23)15-16-7-11-19(12-8-16)28-14-4-6-18-10-9-17-5-3-13-24-21(17)25-18;1-4-20-17(19)13(2)12-15-7-9-16(10-8-15)21-11-5-6-14(3)18;1-3-15-12(14)9(2)8-10-4-6-11(13)7-5-10;9-8-10-11-12-13(8)6-7-4-2-1-3-5-7;1-7(3-2-4-8)9-5-6-10-7;7-6-5(4-9)2-1-3-8-6;1-5-3-2-4-6-5;1-3-6-4(2)5;;;;;;;;;/h3-5,8-9,12-17,27H,2,6-7,10-11,18-21H2,1H3,(H,31,32)(H,33,34,36);1-3,6-7,10-15,25H,4-5,8-9,16-19H2,(H,29,30)(H,36,37)(H,31,32,34);4,6,8-14,17H,3,5,7,15-16H2,1-2H3;7-12,20H,2-6,13-15,23H2,1H3,(H,24,25);7-10,13H,4-6,11-12H2,1-3H3;4-7,9,13H,3,8H2,1-2H3;1-5H,6H2;2-6H2,1H3;1-4H,(H2,7,8);5H,2-4H2,1H3;3H2,1-2H3;6*1H4;1H3;;1H/q;;;;;;;;;;;;;;;;;-1;;
InChIKeyBLYOQXUWXKIXRU-UHFFFAOYSA-N
XLogP29.77
TPSA643.64 Ų
H-Bond Donors9
H-Bond Acceptors49
Rotatable Bonds63
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003221.20
LogP ≤ 529.77
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-aminopyridine-3-carbaldehyde;1-benzyl-5-fluorotetrazole;2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid;2-(3-bromopropyl)-2-methyl-1,3-dioxolane;carbanide;ethyl acetate;ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 3-(4-hydroxyphenyl)-2-methylpropanoate;ethyl 2-methyl-3-[4-[3-(1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-methyl-3-[4-(4-oxopentoxy)phenyl]propanoate;methane;2-methyloxolane;molecular hydrogen;palladium with MolForge

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Related Compounds

2-aminopyridine-3-carbaldehyde;(4R)-4-benzyl-3-[4-(2-methyl-1,3-dioxolan-2-yl)butanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-4-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoyl]-1,3-oxazolidin-2-one;(2S)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pentane-1,4-dione;3-bromo-2-methylprop-1-ene;ethyl 6-amino-3-(6-methoxy-3-pyridinyl)hexanoate;ethyl 3-(4-methoxyphenyl)-6-[(3S)-5-methyl-2-oxo-3-(3-oxobutyl)pyrrolidin-1-yl]hexanoate;ethyl 3-(6-methoxy-3-pyridinyl)-6-[(3S)-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate;ethyl 3-(6-methoxy-3-pyridinyl)-6-[(3S)-5-methyl-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate
CID 157229406
CID 160889071
CID 160889071
2-Aminopyridine-3-carbaldehyde;1-benzyl-5-fluorotetrazole;2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid;2-(3-bromopropyl)-2-methyl-1,3-dioxolane;carbanide;ethyl acetate;ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 3-(4-hydroxyphenyl)-2-methylpropanoate;ethyl 2-methyl-3-[4-[3-(1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-methyl-3-[4-(4-oxopentoxy)phenyl]propanoate;molecular hydrogen;palladium
CID 160891383
3-bromoprop-1-ene;(3S,23E)-3-(hydroxymethyl)-21,26-dioxa-4,10,12,33-tetrazapentacyclo[25.2.2.112,15.116,20.06,11]tritriaconta-1(30),6(11),7,9,13,15(33),16(32),17,19,23,27(31),28-dodecaen-5-one;methyl (2S)-3-(4-hydroxyphenyl)-2-[[2-[3-(3-hydroxyphenyl)pyrazol-1-yl]pyridine-3-carbonyl]amino]propanoate;methyl (3S)-5-oxo-21,26-dioxa-4,10,12,33-tetrazapentacyclo[25.2.2.112,15.116,20.06,11]tritriaconta-1(30),6(11),7,9,13,15(33),16(32),17,19,23,27(31),28-dodecaene-3-carboxylate;methyl (2S)-3-(4-prop-2-enoxyphenyl)-2-[[2-[3-(3-prop-2-enoxyphenyl)pyrazol-1-yl]pyridine-3-carbonyl]amino]propanoate;(3S,23E)-5-oxo-21,26-dioxa-4,10,12,33-tetrazapentacyclo[25.2.2.112,15.116,20.06,11]tritriaconta-1(30),6(11),7,9,13,15(33),16(32),17,19,23,27(31),28-dodecaene-3-carbaldehyde
CID 161228132

Frequently Asked Questions

What is the IUPAC name of 2-aminopyridine-3-carbaldehyde;1-benzyl-5-fluorotetrazole;2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid;2-(3-bromopropyl)-2-methyl-1,3-dioxolane;carbanide;ethyl acetate;ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 3-(4-hydroxyphenyl)-2-methylpropanoate;ethyl 2-methyl-3-[4-[3-(1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-methyl-3-[4-(4-oxopentoxy)phenyl]propanoate;methane;2-methyloxolane;molecular hydrogen;palladium?
The IUPAC name of 2-aminopyridine-3-carbaldehyde;1-benzyl-5-fluorotetrazole;2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid;2-(3-bromopropyl)-2-methyl-1,3-dioxolane;carbanide;ethyl acetate;ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 3-(4-hydroxyphenyl)-2-methylpropanoate;ethyl 2-methyl-3-[4-[3-(1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-methyl-3-[4-(4-oxopentoxy)phenyl]propanoate;methane;2-methyloxolane;molecular hydrogen;palladium (CID 157484086) is 2-aminopyridine-3-carbaldehyde;1-benzyl-5-fluorotetrazole;2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid;2-(3-bromopropyl)-2-methyl-1,3-dioxolane;carbanide;ethyl acetate;ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 3-(4-hydroxyphenyl)-2-methylpropanoate;ethyl 2-methyl-3-[4-[3-(1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-methyl-3-[4-(4-oxopentoxy)phenyl]propanoate;methane;2-methyloxolane;molecular hydrogen;palladium.
What is the SMILES notation for 2-aminopyridine-3-carbaldehyde;1-benzyl-5-fluorotetrazole;2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid;2-(3-bromopropyl)-2-methyl-1,3-dioxolane;carbanide;ethyl acetate;ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 3-(4-hydroxyphenyl)-2-methylpropanoate;ethyl 2-methyl-3-[4-[3-(1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-methyl-3-[4-(4-oxopentoxy)phenyl]propanoate;methane;2-methyloxolane;molecular hydrogen;palladium?
The canonical SMILES for 2-aminopyridine-3-carbaldehyde;1-benzyl-5-fluorotetrazole;2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid;2-(3-bromopropyl)-2-methyl-1,3-dioxolane;carbanide;ethyl acetate;ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 3-(4-hydroxyphenyl)-2-methylpropanoate;ethyl 2-methyl-3-[4-[3-(1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-methyl-3-[4-(4-oxopentoxy)phenyl]propanoate;methane;2-methyloxolane;molecular hydrogen;palladium is C.C.C.C.C.C.CC1(CCCBr)OCCO1.CC1CCCO1.CCOC(=O)C(C)Cc1ccc(O)cc1.CCOC(=O)C(C)Cc1ccc(OCCCC(C)=O)cc1.CCOC(=O)C(C)Cc1ccc(OCCCc2ccc3cccnc3n2)cc1.CCOC(=O)C(Cc1ccc(OCCCc2ccc3c(n2)NCCC3)cc1)Nc1nnnn1Cc1ccccc1.CCOC(=O)C(N)Cc1ccc(OCCCc2ccc3c(n2)NCCC3)cc1.CCOC(C)=O.Fc1nnnn1Cc1ccccc1.Nc1ncccc1C=O.O=C(O)C(Cc1ccc(OCCCc2ccc3c(n2)NCCC3)cc1)Nc1nnnn1Cc1ccccc1.[CH3-].[H][H].[Pd].
What is the InChIKey of 2-aminopyridine-3-carbaldehyde;1-benzyl-5-fluorotetrazole;2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid;2-(3-bromopropyl)-2-methyl-1,3-dioxolane;carbanide;ethyl acetate;ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 3-(4-hydroxyphenyl)-2-methylpropanoate;ethyl 2-methyl-3-[4-[3-(1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-methyl-3-[4-(4-oxopentoxy)phenyl]propanoate;methane;2-methyloxolane;molecular hydrogen;palladium?
The InChIKey is BLYOQXUWXKIXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O3.C28H31N7O3.C23H26N2O3.C22H29N3O3.C17H24O4.C12H16O3.C8H7FN4.C7H13BrO2.C6H6N2O.C5H10O.C4H8O2.6CH4.CH3.Pd.H2/c1-2-39-29(38)27(33-30-34-35-36-37(30)21-23-8-4-3-5-9-23)20-22-12-16-26(17-13-22)40-19-7-11-25-15-14-24-10-6-18-31-28(24)32-25;36-27(37)25(31-28-32-33-34-35(28)19-21-6-2-1-3-7-21)18-20-10-14-24(15-11-20)38-17-5-9-23-13-12-22-8-4-16-29-26(22)30-23;1-3-27-23(26)17(2)16-18-8-12-21(13-9-18)28-15-5-7-20-11-10-19-6-4-14-24-22(19)25-20;1-2-27-22(26)20(23)15-16-7-11-19(12-8-16)28-14-4-6-18-10-9-17-5-3-13-24-21(17)25-18;1-4-20-17(19)13(2)12-15-7-9-16(10-8-15)21-11-5-6-14(3)18;1-3-15-12(14)9(2)8-10-4-6-11(13)7-5-10;9-8-10-11-12-13(8)6-7-4-2-1-3-5-7;1-7(3-2-4-8)9-5-6-10-7;7-6-5(4-9)2-1-3-8-6;1-5-3-2-4-6-5;1-3-6-4(2)5;;;;;;;;;/h3-5,8-9,12-17,27H,2,6-7,10-11,18-21H2,1H3,(H,31,32)(H,33,34,36);1-3,6-7,10-15,25H,4-5,8-9,16-19H2,(H,29,30)(H,36,37)(H,31,32,34);4,6,8-14,17H,3,5,7,15-16H2,1-2H3;7-12,20H,2-6,13-15,23H2,1H3,(H,24,25);7-10,13H,4-6,11-12H2,1-3H3;4-7,9,13H,3,8H2,1-2H3;1-5H,6H2;2-6H2,1H3;1-4H,(H2,7,8);5H,2-4H2,1H3;3H2,1-2H3;6*1H4;1H3;;1H/q;;;;;;;;;;;;;;;;;-1;;.
What are the key properties of 2-aminopyridine-3-carbaldehyde;1-benzyl-5-fluorotetrazole;2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid;2-(3-bromopropyl)-2-methyl-1,3-dioxolane;carbanide;ethyl acetate;ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 3-(4-hydroxyphenyl)-2-methylpropanoate;ethyl 2-methyl-3-[4-[3-(1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-methyl-3-[4-(4-oxopentoxy)phenyl]propanoate;methane;2-methyloxolane;molecular hydrogen;palladium?
2-aminopyridine-3-carbaldehyde;1-benzyl-5-fluorotetrazole;2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid;2-(3-bromopropyl)-2-methyl-1,3-dioxolane;carbanide;ethyl acetate;ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 3-(4-hydroxyphenyl)-2-methylpropanoate;ethyl 2-methyl-3-[4-[3-(1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-methyl-3-[4-(4-oxopentoxy)phenyl]propanoate;methane;2-methyloxolane;molecular hydrogen;palladium has a molecular weight of 3221.20 g/mol, XLogP of 29.77, 63 rotatable bonds, 9 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyridine-3-carbaldehyde;1-benzyl-5-fluorotetrazole;2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid;2-(3-bromopropyl)-2-methyl-1,3-dioxolane;carbanide;ethyl acetate;ethyl 2-amino-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-[(1-benzyltetrazol-5-yl)amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 3-(4-hydroxyphenyl)-2-methylpropanoate;ethyl 2-methyl-3-[4-[3-(1,8-naphthyridin-2-yl)propoxy]phenyl]propanoate;ethyl 2-methyl-3-[4-(4-oxopentoxy)phenyl]propanoate;methane;2-methyloxolane;molecular hydrogen;palladium is sourced from PubChem (CID 157484086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).