tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]acetaldehyde;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethanol;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine

C167H225FN42O19 — CID 159171934

IUPACtert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]acetaldehyde;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethanol;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)(C)OC(=O)N1CCNCC1.COC1(CC=O)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.COC1(CCN2CCN(C(=O)OC(C)(C)C)CC2)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.COC1(CCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.COC1(CCN2CCNCC2)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.COC1(CCO)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1
InChIInChI=1S/C40H48N10O5.C32H48N8O3.C27H40N8O.C23H32N6O2.C23H30N6O2.C13H9FN2O4.C9H18N2O2/c1-25(2)49-26(3)43-32-24-42-28(22-34(32)49)21-27-9-13-41-39(44-27)48-15-11-40(55-4,12-16-48)10-14-46-17-19-47(20-18-46)29-5-6-30-31(23-29)38(54)50(37(30)53)33-7-8-35(51)45-36(33)52;1-23(2)40-24(3)35-27-22-34-26(21-28(27)40)20-25-8-12-33-29(36-25)38-14-10-32(42-7,11-15-38)9-13-37-16-18-39(19-17-37)30(41)43-31(4,5)6;1-20(2)35-21(3)31-24-19-30-23(18-25(24)35)17-22-5-9-29-26(32-22)34-13-7-27(36-4,8-14-34)6-12-33-15-10-28-11-16-33;2*1-16(2)29-17(3)26-20-15-25-19(14-21(20)29)13-18-5-9-24-22(27-18)28-10-6-23(31-4,7-11-28)8-12-30;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;1-9(2,3)13-8(12)11-6-4-10-5-7-11/h5-6,9,13,22-25,33H,7-8,10-12,14-21H2,1-4H3,(H,45,51,52);8,12,21-23H,9-11,13-20H2,1-7H3;5,9,18-20,28H,6-8,10-17H2,1-4H3;5,9,14-16,30H,6-8,10-13H2,1-4H3;5,9,12,14-16H,6-8,10-11,13H2,1-4H3;1-2,5,9H,3-4H2,(H,15,17,18);10H,4-7H2,1-3H3
InChIKeyKLULCFRFDPRKBB-UHFFFAOYSA-N
MW3143.91 g/mol
LogP18.31
Rot. Bonds41

About tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]acetaldehyde;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethanol;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine

tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]acetaldehyde;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethanol;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 159171934) has the molecular formula C167H225FN42O19 and a molecular weight of 3143.91 g/mol. Its IUPAC name is tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]acetaldehyde;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethanol;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Nametert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]acetaldehyde;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethanol;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID159171934
Molecular FormulaC167H225FN42O19
Molecular Weight3143.91 g/mol
Exact Mass3141.79
IUPAC Nametert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]acetaldehyde;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethanol;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)(C)OC(=O)N1CCNCC1.COC1(CC=O)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.COC1(CCN2CCN(C(=O)OC(C)(C)C)CC2)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.COC1(CCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.COC1(CCN2CCNCC2)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.COC1(CCO)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1
InChIInChI=1S/C40H48N10O5.C32H48N8O3.C27H40N8O.C23H32N6O2.C23H30N6O2.C13H9FN2O4.C9H18N2O2/c1-25(2)49-26(3)43-32-24-42-28(22-34(32)49)21-27-9-13-41-39(44-27)48-15-11-40(55-4,12-16-48)10-14-46-17-19-47(20-18-46)29-5-6-30-31(23-29)38(54)50(37(30)53)33-7-8-35(51)45-36(33)52;1-23(2)40-24(3)35-27-22-34-26(21-28(27)40)20-25-8-12-33-29(36-25)38-14-10-32(42-7,11-15-38)9-13-37-16-18-39(19-17-37)30(41)43-31(4,5)6;1-20(2)35-21(3)31-24-19-30-23(18-25(24)35)17-22-5-9-29-26(32-22)34-13-7-27(36-4,8-14-34)6-12-33-15-10-28-11-16-33;2*1-16(2)29-17(3)26-20-15-25-19(14-21(20)29)13-18-5-9-24-22(27-18)28-10-6-23(31-4,7-11-28)8-12-30;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;1-9(2,3)13-8(12)11-6-4-10-5-7-11/h5-6,9,13,22-25,33H,7-8,10-12,14-21H2,1-4H3,(H,45,51,52);8,12,21-23H,9-11,13-20H2,1-7H3;5,9,18-20,28H,6-8,10-17H2,1-4H3;5,9,14-16,30H,6-8,10-13H2,1-4H3;5,9,12,14-16H,6-8,10-11,13H2,1-4H3;1-2,5,9H,3-4H2,(H,15,17,18);10H,4-7H2,1-3H3
InChIKeyKLULCFRFDPRKBB-UHFFFAOYSA-N
XLogP18.31
TPSA645.30 Ų
H-Bond Donors5
H-Bond Acceptors55
Rotatable Bonds41
Heavy Atoms229
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003143.91
LogP ≤ 518.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]acetaldehyde;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethanol;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]acetaldehyde;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethanol;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]acetaldehyde;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethanol;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine (CID 159171934) is tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]acetaldehyde;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethanol;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]acetaldehyde;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethanol;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]acetaldehyde;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethanol;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine is CC(C)(C)OC(=O)N1CCNCC1.COC1(CC=O)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.COC1(CCN2CCN(C(=O)OC(C)(C)C)CC2)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.COC1(CCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.COC1(CCN2CCNCC2)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.COC1(CCO)CCN(c2nccc(Cc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.
What is the InChIKey of tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]acetaldehyde;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethanol;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is KLULCFRFDPRKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48N10O5.C32H48N8O3.C27H40N8O.C23H32N6O2.C23H30N6O2.C13H9FN2O4.C9H18N2O2/c1-25(2)49-26(3)43-32-24-42-28(22-34(32)49)21-27-9-13-41-39(44-27)48-15-11-40(55-4,12-16-48)10-14-46-17-19-47(20-18-46)29-5-6-30-31(23-29)38(54)50(37(30)53)33-7-8-35(51)45-36(33)52;1-23(2)40-24(3)35-27-22-34-26(21-28(27)40)20-25-8-12-33-29(36-25)38-14-10-32(42-7,11-15-38)9-13-37-16-18-39(19-17-37)30(41)43-31(4,5)6;1-20(2)35-21(3)31-24-19-30-23(18-25(24)35)17-22-5-9-29-26(32-22)34-13-7-27(36-4,8-14-34)6-12-33-15-10-28-11-16-33;2*1-16(2)29-17(3)26-20-15-25-19(14-21(20)29)13-18-5-9-24-22(27-18)28-10-6-23(31-4,7-11-28)8-12-30;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;1-9(2,3)13-8(12)11-6-4-10-5-7-11/h5-6,9,13,22-25,33H,7-8,10-12,14-21H2,1-4H3,(H,45,51,52);8,12,21-23H,9-11,13-20H2,1-7H3;5,9,18-20,28H,6-8,10-17H2,1-4H3;5,9,14-16,30H,6-8,10-13H2,1-4H3;5,9,12,14-16H,6-8,10-11,13H2,1-4H3;1-2,5,9H,3-4H2,(H,15,17,18);10H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]acetaldehyde;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethanol;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine?
tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]acetaldehyde;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethanol;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 3143.91 g/mol, XLogP of 18.31, 41 rotatable bonds, 5 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]acetaldehyde;2-[4-methoxy-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]ethanol;6-[[2-[4-methoxy-4-(2-piperazin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]methyl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 159171934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).