2-[3-[5-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-2-methanimidoyl-3-(propan-2-ylamino)phenyl]-3-oxopropyl]-5-methyl-3-propylcyclohexa-2,4-dien-1-one;3-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]propanamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide;3-[2-(2-propoxyethoxy)ethoxy]propanoic acid

C158H211FN22O27 — CID 159272100

IUPAC2-[3-[5-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-2-methanimidoyl-3-(propan-2-ylamino)phenyl]-3-oxopropyl]-5-methyl-3-propylcyclohexa-2,4-dien-1-one;3-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]propanamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide;3-[2-(2-propoxyethoxy)ethoxy]propanoic acid
SMILESCCCOCCOCCOCCC(=O)O.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)C(=O)N1.[H]/N=C/c1c(NC(C)C)cc(-c2ccc(N3CCN(CCN)CC3)nc2)cc1C(=O)CCC1=C(CCC)C=C(C)CC1=O.[H]/N=C/c1c(NC(C)C)cc(-c2ccc(N3CCN(CCNC(=O)CCOCCOCCOCCC)CC3)nc2)cc1C(=O)CCC1=C(CCC)C=C(C)CC1=O.[H]/N=C/c1c(NC(C)C)cc(-c2ccc(N3CCN(CCNC(=O)CCOCCOCCOCCCc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nc2)cc1C(=O)CCC1=C(CCC)C=C(C)CC1=O
InChIInChI=1S/C57H72N8O10.C44H64N6O6.C34H46N6O2.C13H9FN2O4.C10H20O5/c1-5-8-40-31-38(4)32-50(67)43(40)13-15-49(66)45-33-42(34-47(46(45)35-58)61-37(2)3)41-12-16-51(60-36-41)64-23-21-63(22-24-64)20-19-59-52(68)18-26-74-28-30-75-29-27-73-25-7-10-39-9-6-11-44-54(39)57(72)65(56(44)71)48-14-17-53(69)62-55(48)70;1-6-8-34-26-33(5)27-42(52)37(34)10-11-41(51)38-28-36(29-40(39(38)30-45)48-32(3)4)35-9-12-43(47-31-35)50-18-16-49(17-19-50)15-14-46-44(53)13-21-55-23-25-56-24-22-54-20-7-2;1-5-6-25-17-24(4)18-33(42)28(25)8-9-32(41)29-19-27(20-31(30(29)21-36)38-23(2)3)26-7-10-34(37-22-26)40-15-13-39(12-11-35)14-16-40;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-2-4-13-6-8-15-9-7-14-5-3-10(11)12/h6,9,11-12,16,31,33-37,48,58,61H,5,7-8,10,13-15,17-30,32H2,1-4H3,(H,59,68)(H,62,69,70);9,12,26,28-32,45,48H,6-8,10-11,13-25,27H2,1-5H3,(H,46,53);7,10,17,19-23,36,38H,5-6,8-9,11-16,18,35H2,1-4H3;1-3,8H,4-5H2,(H,15,17,18);2-9H2,1H3,(H,11,12)/b58-35+;45-30+;36-21+;;
InChIKeyKXVOSZLBUFGUCQ-XRLZFAGBSA-N
MW2869.55 g/mol
LogP19.66
Rot. Bonds78

About 2-[3-[5-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-2-methanimidoyl-3-(propan-2-ylamino)phenyl]-3-oxopropyl]-5-methyl-3-propylcyclohexa-2,4-dien-1-one;3-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]propanamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide;3-[2-(2-propoxyethoxy)ethoxy]propanoic acid

2-[3-[5-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-2-methanimidoyl-3-(propan-2-ylamino)phenyl]-3-oxopropyl]-5-methyl-3-propylcyclohexa-2,4-dien-1-one;3-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]propanamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide;3-[2-(2-propoxyethoxy)ethoxy]propanoic acid (PubChem CID 159272100) has the molecular formula C158H211FN22O27 and a molecular weight of 2869.55 g/mol. Its IUPAC name is 2-[3-[5-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-2-methanimidoyl-3-(propan-2-ylamino)phenyl]-3-oxopropyl]-5-methyl-3-propylcyclohexa-2,4-dien-1-one;3-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]propanamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide;3-[2-(2-propoxyethoxy)ethoxy]propanoic acid.

Molecular Properties

Compound Name2-[3-[5-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-2-methanimidoyl-3-(propan-2-ylamino)phenyl]-3-oxopropyl]-5-methyl-3-propylcyclohexa-2,4-dien-1-one;3-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]propanamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide;3-[2-(2-propoxyethoxy)ethoxy]propanoic acid
PubChem CID159272100
Molecular FormulaC158H211FN22O27
Molecular Weight2869.55 g/mol
Exact Mass2867.58
IUPAC Name2-[3-[5-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-2-methanimidoyl-3-(propan-2-ylamino)phenyl]-3-oxopropyl]-5-methyl-3-propylcyclohexa-2,4-dien-1-one;3-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]propanamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide;3-[2-(2-propoxyethoxy)ethoxy]propanoic acid
SMILESCCCOCCOCCOCCC(=O)O.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)C(=O)N1.[H]/N=C/c1c(NC(C)C)cc(-c2ccc(N3CCN(CCN)CC3)nc2)cc1C(=O)CCC1=C(CCC)C=C(C)CC1=O.[H]/N=C/c1c(NC(C)C)cc(-c2ccc(N3CCN(CCNC(=O)CCOCCOCCOCCC)CC3)nc2)cc1C(=O)CCC1=C(CCC)C=C(C)CC1=O.[H]/N=C/c1c(NC(C)C)cc(-c2ccc(N3CCN(CCNC(=O)CCOCCOCCOCCCc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nc2)cc1C(=O)CCC1=C(CCC)C=C(C)CC1=O
InChIInChI=1S/C57H72N8O10.C44H64N6O6.C34H46N6O2.C13H9FN2O4.C10H20O5/c1-5-8-40-31-38(4)32-50(67)43(40)13-15-49(66)45-33-42(34-47(46(45)35-58)61-37(2)3)41-12-16-51(60-36-41)64-23-21-63(22-24-64)20-19-59-52(68)18-26-74-28-30-75-29-27-73-25-7-10-39-9-6-11-44-54(39)57(72)65(56(44)71)48-14-17-53(69)62-55(48)70;1-6-8-34-26-33(5)27-42(52)37(34)10-11-41(51)38-28-36(29-40(39(38)30-45)48-32(3)4)35-9-12-43(47-31-35)50-18-16-49(17-19-50)15-14-46-44(53)13-21-55-23-25-56-24-22-54-20-7-2;1-5-6-25-17-24(4)18-33(42)28(25)8-9-32(41)29-19-27(20-31(30(29)21-36)38-23(2)3)26-7-10-34(37-22-26)40-15-13-39(12-11-35)14-16-40;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-2-4-13-6-8-15-9-7-14-5-3-10(11)12/h6,9,11-12,16,31,33-37,48,58,61H,5,7-8,10,13-15,17-30,32H2,1-4H3,(H,59,68)(H,62,69,70);9,12,26,28-32,45,48H,6-8,10-11,13-25,27H2,1-5H3,(H,46,53);7,10,17,19-23,36,38H,5-6,8-9,11-16,18,35H2,1-4H3;1-3,8H,4-5H2,(H,15,17,18);2-9H2,1H3,(H,11,12)/b58-35+;45-30+;36-21+;;
InChIKeyKXVOSZLBUFGUCQ-XRLZFAGBSA-N
XLogP19.66
TPSA639.86 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds78
Heavy Atoms208
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002869.55
LogP ≤ 519.66
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[3-[5-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-2-methanimidoyl-3-(propan-2-ylamino)phenyl]-3-oxopropyl]-5-methyl-3-propylcyclohexa-2,4-dien-1-one;3-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]propanamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide;3-[2-(2-propoxyethoxy)ethoxy]propanoic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-2-methanimidoyl-3-(propan-2-ylamino)phenyl]-3-oxopropyl]-5-methyl-3-propylcyclohexa-2,4-dien-1-one;3-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]propanamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide;3-[2-(2-propoxyethoxy)ethoxy]propanoic acid?
The IUPAC name of 2-[3-[5-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-2-methanimidoyl-3-(propan-2-ylamino)phenyl]-3-oxopropyl]-5-methyl-3-propylcyclohexa-2,4-dien-1-one;3-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]propanamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide;3-[2-(2-propoxyethoxy)ethoxy]propanoic acid (CID 159272100) is 2-[3-[5-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-2-methanimidoyl-3-(propan-2-ylamino)phenyl]-3-oxopropyl]-5-methyl-3-propylcyclohexa-2,4-dien-1-one;3-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]propanamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide;3-[2-(2-propoxyethoxy)ethoxy]propanoic acid.
What is the SMILES notation for 2-[3-[5-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-2-methanimidoyl-3-(propan-2-ylamino)phenyl]-3-oxopropyl]-5-methyl-3-propylcyclohexa-2,4-dien-1-one;3-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]propanamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide;3-[2-(2-propoxyethoxy)ethoxy]propanoic acid?
The canonical SMILES for 2-[3-[5-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-2-methanimidoyl-3-(propan-2-ylamino)phenyl]-3-oxopropyl]-5-methyl-3-propylcyclohexa-2,4-dien-1-one;3-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]propanamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide;3-[2-(2-propoxyethoxy)ethoxy]propanoic acid is CCCOCCOCCOCCC(=O)O.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)C(=O)N1.[H]/N=C/c1c(NC(C)C)cc(-c2ccc(N3CCN(CCN)CC3)nc2)cc1C(=O)CCC1=C(CCC)C=C(C)CC1=O.[H]/N=C/c1c(NC(C)C)cc(-c2ccc(N3CCN(CCNC(=O)CCOCCOCCOCCC)CC3)nc2)cc1C(=O)CCC1=C(CCC)C=C(C)CC1=O.[H]/N=C/c1c(NC(C)C)cc(-c2ccc(N3CCN(CCNC(=O)CCOCCOCCOCCCc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nc2)cc1C(=O)CCC1=C(CCC)C=C(C)CC1=O.
What is the InChIKey of 2-[3-[5-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-2-methanimidoyl-3-(propan-2-ylamino)phenyl]-3-oxopropyl]-5-methyl-3-propylcyclohexa-2,4-dien-1-one;3-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]propanamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide;3-[2-(2-propoxyethoxy)ethoxy]propanoic acid?
The InChIKey is KXVOSZLBUFGUCQ-XRLZFAGBSA-N. The full InChI is InChI=1S/C57H72N8O10.C44H64N6O6.C34H46N6O2.C13H9FN2O4.C10H20O5/c1-5-8-40-31-38(4)32-50(67)43(40)13-15-49(66)45-33-42(34-47(46(45)35-58)61-37(2)3)41-12-16-51(60-36-41)64-23-21-63(22-24-64)20-19-59-52(68)18-26-74-28-30-75-29-27-73-25-7-10-39-9-6-11-44-54(39)57(72)65(56(44)71)48-14-17-53(69)62-55(48)70;1-6-8-34-26-33(5)27-42(52)37(34)10-11-41(51)38-28-36(29-40(39(38)30-45)48-32(3)4)35-9-12-43(47-31-35)50-18-16-49(17-19-50)15-14-46-44(53)13-21-55-23-25-56-24-22-54-20-7-2;1-5-6-25-17-24(4)18-33(42)28(25)8-9-32(41)29-19-27(20-31(30(29)21-36)38-23(2)3)26-7-10-34(37-22-26)40-15-13-39(12-11-35)14-16-40;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-2-4-13-6-8-15-9-7-14-5-3-10(11)12/h6,9,11-12,16,31,33-37,48,58,61H,5,7-8,10,13-15,17-30,32H2,1-4H3,(H,59,68)(H,62,69,70);9,12,26,28-32,45,48H,6-8,10-11,13-25,27H2,1-5H3,(H,46,53);7,10,17,19-23,36,38H,5-6,8-9,11-16,18,35H2,1-4H3;1-3,8H,4-5H2,(H,15,17,18);2-9H2,1H3,(H,11,12)/b58-35+;45-30+;36-21+;;.
What are the key properties of 2-[3-[5-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-2-methanimidoyl-3-(propan-2-ylamino)phenyl]-3-oxopropyl]-5-methyl-3-propylcyclohexa-2,4-dien-1-one;3-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]propanamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide;3-[2-(2-propoxyethoxy)ethoxy]propanoic acid?
2-[3-[5-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-2-methanimidoyl-3-(propan-2-ylamino)phenyl]-3-oxopropyl]-5-methyl-3-propylcyclohexa-2,4-dien-1-one;3-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]propanamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide;3-[2-(2-propoxyethoxy)ethoxy]propanoic acid has a molecular weight of 2869.55 g/mol, XLogP of 19.66, 78 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-pyridinyl]-2-methanimidoyl-3-(propan-2-ylamino)phenyl]-3-oxopropyl]-5-methyl-3-propylcyclohexa-2,4-dien-1-one;3-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]-N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]propanamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;N-[2-[4-[5-[4-methanimidoyl-3-[3-(4-methyl-6-oxo-2-propylcyclohexa-1,3-dien-1-yl)propanoyl]-5-(propan-2-ylamino)phenyl]-2-pyridinyl]piperazin-1-yl]ethyl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide;3-[2-(2-propoxyethoxy)ethoxy]propanoic acid is sourced from PubChem (CID 159272100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).