4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-formylpiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate;2-(4-chlorophenyl)acetonitrile;[1-(4-chlorophenyl)cyclohexyl]methanol;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C166H209BrCl9N25O16 — CID 160771095

IUPAC4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-formylpiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate;2-(4-chlorophenyl)acetonitrile;[1-(4-chlorophenyl)cyclohexyl]methanol;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCC(C)(C)OC(=O)N(CCCl)CCCl.CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(Cl)cc2)CC1.CC(C)(C)OC(=O)N1CCC(C=O)(c2ccc(Cl)cc2)CC1.CC(C)(C)OC(=O)N1CCC(CO)(c2ccc(Cl)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(CC3=NC4C(N5CCC(CO)(c6ccc(Cl)cc6)CC5)=CC=CN4N3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5CCC(CO)(c6ccc(Cl)cc6)CC5)cccn4n3)cc2)CC1.N#CCc1ccc(Cl)cc1.OCC1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C33H41ClN6O2.C32H38ClN7O2.C20H23BrN6O.C17H21ClN2O2.C17H24ClNO3.C17H22ClNO3.C13H17ClO.C9H17Cl2NO2.C8H6ClN/c1-37-18-13-28(14-19-37)38(2)32(42)25-7-5-24(6-8-25)22-30-35-31-29(4-3-17-40(31)36-30)39-20-15-33(23-41,16-21-39)26-9-11-27(34)12-10-26;1-37-18-13-27(14-19-37)38(2)30(42)23-5-11-26(12-6-23)34-31-35-29-28(4-3-17-40(29)36-31)39-20-15-32(22-41,16-21-39)24-7-9-25(33)10-8-24;1-25-12-9-16(10-13-25)26(2)19(28)14-5-7-15(8-6-14)22-20-23-18-17(21)4-3-11-27(18)24-20;1-16(2,3)22-15(21)20-10-8-17(12-19,9-11-20)13-4-6-14(18)7-5-13;2*1-16(2,3)22-15(21)19-10-8-17(12-20,9-11-19)13-4-6-14(18)7-5-13;14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13;1-9(2,3)14-8(13)12(6-4-10)7-5-11;9-8-3-1-7(2-4-8)5-6-10/h3-12,17,28,31,41H,13-16,18-23H2,1-2H3,(H,35,36);3-12,17,27,41H,13-16,18-22H2,1-2H3,(H,34,36);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);4-7H,8-11H2,1-3H3;4-7,20H,8-12H2,1-3H3;4-7,12H,8-11H2,1-3H3;4-7,15H,1-3,8-10H2;4-7H2,1-3H3;1-4H,5H2
InChIKeyRZICUATYVMHSRS-UHFFFAOYSA-N
MW3209.64 g/mol
LogP32.44
Rot. Bonds30

About 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-formylpiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate;2-(4-chlorophenyl)acetonitrile;[1-(4-chlorophenyl)cyclohexyl]methanol;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-formylpiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate;2-(4-chlorophenyl)acetonitrile;[1-(4-chlorophenyl)cyclohexyl]methanol;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 160771095) has the molecular formula C166H209BrCl9N25O16 and a molecular weight of 3209.64 g/mol. Its IUPAC name is 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-formylpiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate;2-(4-chlorophenyl)acetonitrile;[1-(4-chlorophenyl)cyclohexyl]methanol;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-formylpiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate;2-(4-chlorophenyl)acetonitrile;[1-(4-chlorophenyl)cyclohexyl]methanol;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID160771095
Molecular FormulaC166H209BrCl9N25O16
Molecular Weight3209.64 g/mol
Exact Mass3202.27
IUPAC Name4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-formylpiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate;2-(4-chlorophenyl)acetonitrile;[1-(4-chlorophenyl)cyclohexyl]methanol;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCC(C)(C)OC(=O)N(CCCl)CCCl.CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(Cl)cc2)CC1.CC(C)(C)OC(=O)N1CCC(C=O)(c2ccc(Cl)cc2)CC1.CC(C)(C)OC(=O)N1CCC(CO)(c2ccc(Cl)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(CC3=NC4C(N5CCC(CO)(c6ccc(Cl)cc6)CC5)=CC=CN4N3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5CCC(CO)(c6ccc(Cl)cc6)CC5)cccn4n3)cc2)CC1.N#CCc1ccc(Cl)cc1.OCC1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C33H41ClN6O2.C32H38ClN7O2.C20H23BrN6O.C17H21ClN2O2.C17H24ClNO3.C17H22ClNO3.C13H17ClO.C9H17Cl2NO2.C8H6ClN/c1-37-18-13-28(14-19-37)38(2)32(42)25-7-5-24(6-8-25)22-30-35-31-29(4-3-17-40(31)36-30)39-20-15-33(23-41,16-21-39)26-9-11-27(34)12-10-26;1-37-18-13-27(14-19-37)38(2)30(42)23-5-11-26(12-6-23)34-31-35-29-28(4-3-17-40(29)36-31)39-20-15-32(22-41,16-21-39)24-7-9-25(33)10-8-24;1-25-12-9-16(10-13-25)26(2)19(28)14-5-7-15(8-6-14)22-20-23-18-17(21)4-3-11-27(18)24-20;1-16(2,3)22-15(21)20-10-8-17(12-19,9-11-20)13-4-6-14(18)7-5-13;2*1-16(2,3)22-15(21)19-10-8-17(12-20,9-11-19)13-4-6-14(18)7-5-13;14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13;1-9(2,3)14-8(13)12(6-4-10)7-5-11;9-8-3-1-7(2-4-8)5-6-10/h3-12,17,28,31,41H,13-16,18-23H2,1-2H3,(H,35,36);3-12,17,27,41H,13-16,18-22H2,1-2H3,(H,34,36);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);4-7H,8-11H2,1-3H3;4-7,20H,8-12H2,1-3H3;4-7,12H,8-11H2,1-3H3;4-7,15H,1-3,8-10H2;4-7H2,1-3H3;1-4H,5H2
InChIKeyRZICUATYVMHSRS-UHFFFAOYSA-N
XLogP32.44
TPSA452.93 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds30
Heavy Atoms217
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003209.64
LogP ≤ 532.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-formylpiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate;2-(4-chlorophenyl)acetonitrile;[1-(4-chlorophenyl)cyclohexyl]methanol;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-formylpiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate;2-(4-chlorophenyl)acetonitrile;[1-(4-chlorophenyl)cyclohexyl]methanol;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-formylpiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate;2-(4-chlorophenyl)acetonitrile;[1-(4-chlorophenyl)cyclohexyl]methanol;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 160771095) is 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-formylpiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate;2-(4-chlorophenyl)acetonitrile;[1-(4-chlorophenyl)cyclohexyl]methanol;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-formylpiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate;2-(4-chlorophenyl)acetonitrile;[1-(4-chlorophenyl)cyclohexyl]methanol;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-formylpiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate;2-(4-chlorophenyl)acetonitrile;[1-(4-chlorophenyl)cyclohexyl]methanol;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is CC(C)(C)OC(=O)N(CCCl)CCCl.CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(Cl)cc2)CC1.CC(C)(C)OC(=O)N1CCC(C=O)(c2ccc(Cl)cc2)CC1.CC(C)(C)OC(=O)N1CCC(CO)(c2ccc(Cl)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(CC3=NC4C(N5CCC(CO)(c6ccc(Cl)cc6)CC5)=CC=CN4N3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5CCC(CO)(c6ccc(Cl)cc6)CC5)cccn4n3)cc2)CC1.N#CCc1ccc(Cl)cc1.OCC1(c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-formylpiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate;2-(4-chlorophenyl)acetonitrile;[1-(4-chlorophenyl)cyclohexyl]methanol;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is RZICUATYVMHSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41ClN6O2.C32H38ClN7O2.C20H23BrN6O.C17H21ClN2O2.C17H24ClNO3.C17H22ClNO3.C13H17ClO.C9H17Cl2NO2.C8H6ClN/c1-37-18-13-28(14-19-37)38(2)32(42)25-7-5-24(6-8-25)22-30-35-31-29(4-3-17-40(31)36-30)39-20-15-33(23-41,16-21-39)26-9-11-27(34)12-10-26;1-37-18-13-27(14-19-37)38(2)30(42)23-5-11-26(12-6-23)34-31-35-29-28(4-3-17-40(29)36-31)39-20-15-32(22-41,16-21-39)24-7-9-25(33)10-8-24;1-25-12-9-16(10-13-25)26(2)19(28)14-5-7-15(8-6-14)22-20-23-18-17(21)4-3-11-27(18)24-20;1-16(2,3)22-15(21)20-10-8-17(12-19,9-11-20)13-4-6-14(18)7-5-13;2*1-16(2,3)22-15(21)19-10-8-17(12-20,9-11-19)13-4-6-14(18)7-5-13;14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13;1-9(2,3)14-8(13)12(6-4-10)7-5-11;9-8-3-1-7(2-4-8)5-6-10/h3-12,17,28,31,41H,13-16,18-23H2,1-2H3,(H,35,36);3-12,17,27,41H,13-16,18-22H2,1-2H3,(H,34,36);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);4-7H,8-11H2,1-3H3;4-7,20H,8-12H2,1-3H3;4-7,12H,8-11H2,1-3H3;4-7,15H,1-3,8-10H2;4-7H2,1-3H3;1-4H,5H2.
What are the key properties of 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-formylpiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate;2-(4-chlorophenyl)acetonitrile;[1-(4-chlorophenyl)cyclohexyl]methanol;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-formylpiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate;2-(4-chlorophenyl)acetonitrile;[1-(4-chlorophenyl)cyclohexyl]methanol;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 3209.64 g/mol, XLogP of 32.44, 30 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-formylpiperidine-1-carboxylate;tert-butyl 4-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate;2-(4-chlorophenyl)acetonitrile;[1-(4-chlorophenyl)cyclohexyl]methanol;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 160771095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).