tert-butyl 4-[[1-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carbonyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide;5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydrochloride

C164H205Cl5N38O18 — CID 167588908

IUPACtert-butyl 4-[[1-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carbonyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide;5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCN(CC2CCN(c3ccc(C(=O)NC4CCC(Oc5ccc(C#N)c(Cl)c5)CC4)nn3)CC2)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCc1cc2ncc(CN3CCN(c4ccc(C(=O)N5CCN(CC6CCN(c7ccc(C(=O)NC8CCC(Oc9ccc(C#N)c(Cl)c9)CC8)nn7)CC6)CC5)nc4)CC3)cc2[nH]c1=O.CCc1cc2ncc(CN3CCN(c4ccc(C(=O)O)nc4)CC3)cc2[nH]c1=O.Cl.N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCC(C=O)CC4)nn3)CC2)cc1Cl.N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCC(CN5CCNCC5)CC4)nn3)CC2)cc1Cl
InChIInChI=1S/C49H57ClN12O4.C33H44ClN7O4.C28H36ClN7O2.C24H26ClN5O3.C21H23N5O3.C9H18N2O2.ClH/c1-2-35-26-44-45(55-47(35)63)25-34(29-52-44)32-59-17-21-60(22-18-59)38-6-10-43(53-30-38)49(65)62-23-19-58(20-24-62)31-33-13-15-61(16-14-33)46-12-11-42(56-57-46)48(64)54-37-4-8-39(9-5-37)66-40-7-3-36(28-51)41(50)27-40;1-33(2,3)45-32(43)41-18-16-39(17-19-41)22-23-12-14-40(15-13-23)30-11-10-29(37-38-30)31(42)36-25-5-8-26(9-6-25)44-27-7-4-24(21-35)28(34)20-27;29-25-17-24(4-1-21(25)18-30)38-23-5-2-22(3-6-23)32-28(37)26-7-8-27(34-33-26)36-13-9-20(10-14-36)19-35-15-11-31-12-16-35;25-21-13-20(4-1-17(21)14-26)33-19-5-2-18(3-6-19)27-24(32)22-7-8-23(29-28-22)30-11-9-16(15-31)10-12-30;1-2-15-10-18-19(24-20(15)27)9-14(11-22-18)13-25-5-7-26(8-6-25)16-3-4-17(21(28)29)23-12-16;1-9(2,3)13-8(12)11-6-4-10-5-7-11;/h3,6-7,10-12,25-27,29-30,33,37,39H,2,4-5,8-9,13-24,31-32H2,1H3,(H,54,64)(H,55,63);4,7,10-11,20,23,25-26H,5-6,8-9,12-19,22H2,1-3H3,(H,36,42);1,4,7-8,17,20,22-23,31H,2-3,5-6,9-16,19H2,(H,32,37);1,4,7-8,13,15-16,18-19H,2-3,5-6,9-12H2,(H,27,32);3-4,9-12H,2,5-8,13H2,1H3,(H,24,27)(H,28,29);10H,4-7H2,1-3H3;1H
InChIKeyDBWWBFFCBJAAPO-UHFFFAOYSA-N
MW3173.96 g/mol
LogP20.13
Rot. Bonds37

About tert-butyl 4-[[1-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carbonyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide;5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydrochloride

tert-butyl 4-[[1-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carbonyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide;5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydrochloride (PubChem CID 167588908) has the molecular formula C164H205Cl5N38O18 and a molecular weight of 3173.96 g/mol. Its IUPAC name is tert-butyl 4-[[1-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carbonyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide;5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-[[1-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carbonyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide;5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydrochloride
PubChem CID167588908
Molecular FormulaC164H205Cl5N38O18
Molecular Weight3173.96 g/mol
Exact Mass3169.47
IUPAC Nametert-butyl 4-[[1-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carbonyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide;5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCN(CC2CCN(c3ccc(C(=O)NC4CCC(Oc5ccc(C#N)c(Cl)c5)CC4)nn3)CC2)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCc1cc2ncc(CN3CCN(c4ccc(C(=O)N5CCN(CC6CCN(c7ccc(C(=O)NC8CCC(Oc9ccc(C#N)c(Cl)c9)CC8)nn7)CC6)CC5)nc4)CC3)cc2[nH]c1=O.CCc1cc2ncc(CN3CCN(c4ccc(C(=O)O)nc4)CC3)cc2[nH]c1=O.Cl.N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCC(C=O)CC4)nn3)CC2)cc1Cl.N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCC(CN5CCNCC5)CC4)nn3)CC2)cc1Cl
InChIInChI=1S/C49H57ClN12O4.C33H44ClN7O4.C28H36ClN7O2.C24H26ClN5O3.C21H23N5O3.C9H18N2O2.ClH/c1-2-35-26-44-45(55-47(35)63)25-34(29-52-44)32-59-17-21-60(22-18-59)38-6-10-43(53-30-38)49(65)62-23-19-58(20-24-62)31-33-13-15-61(16-14-33)46-12-11-42(56-57-46)48(64)54-37-4-8-39(9-5-37)66-40-7-3-36(28-51)41(50)27-40;1-33(2,3)45-32(43)41-18-16-39(17-19-41)22-23-12-14-40(15-13-23)30-11-10-29(37-38-30)31(42)36-25-5-8-26(9-6-25)44-27-7-4-24(21-35)28(34)20-27;29-25-17-24(4-1-21(25)18-30)38-23-5-2-22(3-6-23)32-28(37)26-7-8-27(34-33-26)36-13-9-20(10-14-36)19-35-15-11-31-12-16-35;25-21-13-20(4-1-17(21)14-26)33-19-5-2-18(3-6-19)27-24(32)22-7-8-23(29-28-22)30-11-9-16(15-31)10-12-30;1-2-15-10-18-19(24-20(15)27)9-14(11-22-18)13-25-5-7-26(8-6-25)16-3-4-17(21(28)29)23-12-16;1-9(2,3)13-8(12)11-6-4-10-5-7-11;/h3,6-7,10-12,25-27,29-30,33,37,39H,2,4-5,8-9,13-24,31-32H2,1H3,(H,54,64)(H,55,63);4,7,10-11,20,23,25-26H,5-6,8-9,12-19,22H2,1-3H3,(H,36,42);1,4,7-8,17,20,22-23,31H,2-3,5-6,9-16,19H2,(H,32,37);1,4,7-8,13,15-16,18-19H,2-3,5-6,9-12H2,(H,27,32);3-4,9-12H,2,5-8,13H2,1H3,(H,24,27)(H,28,29);10H,4-7H2,1-3H3;1H
InChIKeyDBWWBFFCBJAAPO-UHFFFAOYSA-N
XLogP20.13
TPSA662.34 Ų
H-Bond Donors9
H-Bond Acceptors46
Rotatable Bonds37
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003173.96
LogP ≤ 520.13
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[[1-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carbonyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide;5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[4-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbonyl]piperidin-1-yl]pyridazine-3-carboxamide
CID 166045097
tert-butyl 4-[[1-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidin-4-yl]amino]piperidine-1-carboxylate
CID 155218820
tert-butyl 4-[5-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 155218743
tert-butyl 7-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 162786072
tert-butyl N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]carbamate;tert-butyl N-(4-hydroxycyclohexyl)carbamate;2-chloro-4-fluorobenzonitrile;bis(4-(3-chloro-4-isocyanophenoxy)cyclohexan-1-amine);N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;N-[4-(3-chloro-4-isocyanophenoxy)cyclohexyl]-6-[4-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxamide;6-[4-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylic acid;methane;dihydrochloride
CID 161051050
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-piperidin-4-ylpiperidin-1-yl)pyridazine-3-carboxamide
CID 176985742
N-[6-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenoxy]hexyl]-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 166045075
2-[4-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperazin-1-yl]acetic acid
CID 169195103
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-fluorophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
CID 156550801
N-[4-[(5-chloro-6-isocyano-3-pyridinyl)oxy]cyclohexyl]-6-[4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]pyridine-3-carboxamide
CID 166045131
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[6-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptan-2-yl]pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155212247
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
CID 162212215

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[1-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carbonyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide;5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of tert-butyl 4-[[1-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carbonyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide;5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydrochloride (CID 167588908) is tert-butyl 4-[[1-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carbonyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide;5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for tert-butyl 4-[[1-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carbonyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide;5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for tert-butyl 4-[[1-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carbonyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide;5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydrochloride is CC(C)(C)OC(=O)N1CCN(CC2CCN(c3ccc(C(=O)NC4CCC(Oc5ccc(C#N)c(Cl)c5)CC4)nn3)CC2)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCc1cc2ncc(CN3CCN(c4ccc(C(=O)N5CCN(CC6CCN(c7ccc(C(=O)NC8CCC(Oc9ccc(C#N)c(Cl)c9)CC8)nn7)CC6)CC5)nc4)CC3)cc2[nH]c1=O.CCc1cc2ncc(CN3CCN(c4ccc(C(=O)O)nc4)CC3)cc2[nH]c1=O.Cl.N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCC(C=O)CC4)nn3)CC2)cc1Cl.N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCC(CN5CCNCC5)CC4)nn3)CC2)cc1Cl.
What is the InChIKey of tert-butyl 4-[[1-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carbonyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide;5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is DBWWBFFCBJAAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H57ClN12O4.C33H44ClN7O4.C28H36ClN7O2.C24H26ClN5O3.C21H23N5O3.C9H18N2O2.ClH/c1-2-35-26-44-45(55-47(35)63)25-34(29-52-44)32-59-17-21-60(22-18-59)38-6-10-43(53-30-38)49(65)62-23-19-58(20-24-62)31-33-13-15-61(16-14-33)46-12-11-42(56-57-46)48(64)54-37-4-8-39(9-5-37)66-40-7-3-36(28-51)41(50)27-40;1-33(2,3)45-32(43)41-18-16-39(17-19-41)22-23-12-14-40(15-13-23)30-11-10-29(37-38-30)31(42)36-25-5-8-26(9-6-25)44-27-7-4-24(21-35)28(34)20-27;29-25-17-24(4-1-21(25)18-30)38-23-5-2-22(3-6-23)32-28(37)26-7-8-27(34-33-26)36-13-9-20(10-14-36)19-35-15-11-31-12-16-35;25-21-13-20(4-1-17(21)14-26)33-19-5-2-18(3-6-19)27-24(32)22-7-8-23(29-28-22)30-11-9-16(15-31)10-12-30;1-2-15-10-18-19(24-20(15)27)9-14(11-22-18)13-25-5-7-26(8-6-25)16-3-4-17(21(28)29)23-12-16;1-9(2,3)13-8(12)11-6-4-10-5-7-11;/h3,6-7,10-12,25-27,29-30,33,37,39H,2,4-5,8-9,13-24,31-32H2,1H3,(H,54,64)(H,55,63);4,7,10-11,20,23,25-26H,5-6,8-9,12-19,22H2,1-3H3,(H,36,42);1,4,7-8,17,20,22-23,31H,2-3,5-6,9-16,19H2,(H,32,37);1,4,7-8,13,15-16,18-19H,2-3,5-6,9-12H2,(H,27,32);3-4,9-12H,2,5-8,13H2,1H3,(H,24,27)(H,28,29);10H,4-7H2,1-3H3;1H.
What are the key properties of tert-butyl 4-[[1-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carbonyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide;5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydrochloride?
tert-butyl 4-[[1-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carbonyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide;5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 3173.96 g/mol, XLogP of 20.13, 37 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[1-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carbonyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(piperazin-1-ylmethyl)piperidin-1-yl]pyridazine-3-carboxamide;5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 167588908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).