4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;bis(tert-butyl 4-(4-chlorophenyl)-4-ethylpiperidine-1-carboxylate);bis(tert-butyl 4-(4-chlorophenyl)-4-(methoxymethyl)piperidine-1-carboxylate);1-chloro-4-(1-ethylcyclohexyl)benzene;bis(4-[[8-[4-(4-chlorophenyl)-4-ethylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide)

C172H226BrCl7N24O13 — CID 158374221

IUPAC4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;bis(tert-butyl 4-(4-chlorophenyl)-4-ethylpiperidine-1-carboxylate);bis(tert-butyl 4-(4-chlorophenyl)-4-(methoxymethyl)piperidine-1-carboxylate);1-chloro-4-(1-ethylcyclohexyl)benzene;bis(4-[[8-[4-(4-chlorophenyl)-4-ethylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide)
SMILESCCC1(c2ccc(Cl)cc2)CCCCC1.CCC1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1.CCC1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1.CCC1(c2ccc(Cl)cc2)CCN(c2cccn3nc(Nc4ccc(C(=O)N(C)C5CCN(C)CC5)cc4)nc23)CC1.CCC1(c2ccc(Cl)cc2)CCN(c2cccn3nc(Nc4ccc(C(=O)N(C)C5CCN(C)CC5)cc4)nc23)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.COCC1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1.COCC1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/2C33H40ClN7O.C20H23BrN6O.2C18H26ClNO3.2C18H26ClNO2.C14H19Cl/c2*1-4-33(25-9-11-26(34)12-10-25)17-22-40(23-18-33)29-6-5-19-41-30(29)36-32(37-41)35-27-13-7-24(8-14-27)31(42)39(3)28-15-20-38(2)21-16-28;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;2*1-17(2,3)23-16(21)20-11-9-18(10-12-20,13-22-4)14-5-7-15(19)8-6-14;2*1-5-18(14-6-8-15(19)9-7-14)10-12-20(13-11-18)16(21)22-17(2,3)4;1-2-14(10-4-3-5-11-14)12-6-8-13(15)9-7-12/h2*5-14,19,28H,4,15-18,20-23H2,1-3H3,(H,35,37);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);2*5-8H,9-13H2,1-4H3;2*6-9H,5,10-13H2,1-4H3;6-9H,2-5,10-11H2,1H3
InChIKeyGUZOXBMMEFLRNT-UHFFFAOYSA-N
MW3165.93 g/mol
LogP39.38
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;bis(tert-butyl 4-(4-chlorophenyl)-4-ethylpiperidine-1-carboxylate);bis(tert-butyl 4-(4-chlorophenyl)-4-(methoxymethyl)piperidine-1-carboxylate);1-chloro-4-(1-ethylcyclohexyl)benzene;bis(4-[[8-[4-(4-chlorophenyl)-4-ethylpiperidin-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;bis(tert-butyl 4-(4-chlorophenyl)-4-ethylpiperidine-1-carboxylate);bis(tert-butyl 4-(4-chlorophenyl)-4-(methoxymethyl)piperidine-1-carboxylate);1-chloro-4-(1-ethylcyclohexyl)benzene;bis(4-[[8-[4-(4-chlorophenyl)-4-ethylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide) (PubChem CID 158374221) has the molecular formula C172H226BrCl7N24O13 and a molecular weight of 3165.93 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;bis(tert-butyl 4-(4-chlorophenyl)-4-ethylpiperidine-1-carboxylate);bis(tert-butyl 4-(4-chlorophenyl)-4-(methoxymethyl)piperidine-1-carboxylate);1-chloro-4-(1-ethylcyclohexyl)benzene;bis(4-[[8-[4-(4-chlorophenyl)-4-ethylpiperidin-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;bis(tert-butyl 4-(4-chlorophenyl)-4-ethylpiperidine-1-carboxylate);bis(tert-butyl 4-(4-chlorophenyl)-4-(methoxymethyl)piperidine-1-carboxylate);1-chloro-4-(1-ethylcyclohexyl)benzene;bis(4-[[8-[4-(4-chlorophenyl)-4-ethylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide)
PubChem CID158374221
Molecular FormulaC172H226BrCl7N24O13
Molecular Weight3165.93 g/mol
Exact Mass3159.48
IUPAC Name4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;bis(tert-butyl 4-(4-chlorophenyl)-4-ethylpiperidine-1-carboxylate);bis(tert-butyl 4-(4-chlorophenyl)-4-(methoxymethyl)piperidine-1-carboxylate);1-chloro-4-(1-ethylcyclohexyl)benzene;bis(4-[[8-[4-(4-chlorophenyl)-4-ethylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide)
SMILESCCC1(c2ccc(Cl)cc2)CCCCC1.CCC1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1.CCC1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1.CCC1(c2ccc(Cl)cc2)CCN(c2cccn3nc(Nc4ccc(C(=O)N(C)C5CCN(C)CC5)cc4)nc23)CC1.CCC1(c2ccc(Cl)cc2)CCN(c2cccn3nc(Nc4ccc(C(=O)N(C)C5CCN(C)CC5)cc4)nc23)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.COCC1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1.COCC1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/2C33H40ClN7O.C20H23BrN6O.2C18H26ClNO3.2C18H26ClNO2.C14H19Cl/c2*1-4-33(25-9-11-26(34)12-10-25)17-22-40(23-18-33)29-6-5-19-41-30(29)36-32(37-41)35-27-13-7-24(8-14-27)31(42)39(3)28-15-20-38(2)21-16-28;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;2*1-17(2,3)23-16(21)20-11-9-18(10-12-20,13-22-4)14-5-7-15(19)8-6-14;2*1-5-18(14-6-8-15(19)9-7-14)10-12-20(13-11-18)16(21)22-17(2,3)4;1-2-14(10-4-3-5-11-14)12-6-8-13(15)9-7-12/h2*5-14,19,28H,4,15-18,20-23H2,1-3H3,(H,35,37);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);2*5-8H,9-13H2,1-4H3;2*6-9H,5,10-13H2,1-4H3;6-9H,2-5,10-11H2,1H3
InChIKeyGUZOXBMMEFLRNT-UHFFFAOYSA-N
XLogP39.38
TPSA340.41 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003165.93
LogP ≤ 539.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', '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;bis(tert-butyl 4-(4-chlorophenyl)-4-ethylpiperidine-1-carboxylate);bis(tert-butyl 4-(4-chlorophenyl)-4-(methoxymethyl)piperidine-1-carboxylate);1-chloro-4-(1-ethylcyclohexyl)benzene;bis(4-[[8-[4-(4-chlorophenyl)-4-ethylpiperidin-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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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;bis(tert-butyl 4-(4-chlorophenyl)-4-ethylpiperidine-1-carboxylate);bis(tert-butyl 4-(4-chlorophenyl)-4-(methoxymethyl)piperidine-1-carboxylate);1-chloro-4-(1-ethylcyclohexyl)benzene;bis(4-[[8-[4-(4-chlorophenyl)-4-ethylpiperidin-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;bis(tert-butyl 4-(4-chlorophenyl)-4-ethylpiperidine-1-carboxylate);bis(tert-butyl 4-(4-chlorophenyl)-4-(methoxymethyl)piperidine-1-carboxylate);1-chloro-4-(1-ethylcyclohexyl)benzene;bis(4-[[8-[4-(4-chlorophenyl)-4-ethylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide) (CID 158374221) is 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;bis(tert-butyl 4-(4-chlorophenyl)-4-ethylpiperidine-1-carboxylate);bis(tert-butyl 4-(4-chlorophenyl)-4-(methoxymethyl)piperidine-1-carboxylate);1-chloro-4-(1-ethylcyclohexyl)benzene;bis(4-[[8-[4-(4-chlorophenyl)-4-ethylpiperidin-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;bis(tert-butyl 4-(4-chlorophenyl)-4-ethylpiperidine-1-carboxylate);bis(tert-butyl 4-(4-chlorophenyl)-4-(methoxymethyl)piperidine-1-carboxylate);1-chloro-4-(1-ethylcyclohexyl)benzene;bis(4-[[8-[4-(4-chlorophenyl)-4-ethylpiperidin-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;bis(tert-butyl 4-(4-chlorophenyl)-4-ethylpiperidine-1-carboxylate);bis(tert-butyl 4-(4-chlorophenyl)-4-(methoxymethyl)piperidine-1-carboxylate);1-chloro-4-(1-ethylcyclohexyl)benzene;bis(4-[[8-[4-(4-chlorophenyl)-4-ethylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide) is CCC1(c2ccc(Cl)cc2)CCCCC1.CCC1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1.CCC1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1.CCC1(c2ccc(Cl)cc2)CCN(c2cccn3nc(Nc4ccc(C(=O)N(C)C5CCN(C)CC5)cc4)nc23)CC1.CCC1(c2ccc(Cl)cc2)CCN(c2cccn3nc(Nc4ccc(C(=O)N(C)C5CCN(C)CC5)cc4)nc23)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.COCC1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1.COCC1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1.
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;bis(tert-butyl 4-(4-chlorophenyl)-4-ethylpiperidine-1-carboxylate);bis(tert-butyl 4-(4-chlorophenyl)-4-(methoxymethyl)piperidine-1-carboxylate);1-chloro-4-(1-ethylcyclohexyl)benzene;bis(4-[[8-[4-(4-chlorophenyl)-4-ethylpiperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide)?
The InChIKey is GUZOXBMMEFLRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H40ClN7O.C20H23BrN6O.2C18H26ClNO3.2C18H26ClNO2.C14H19Cl/c2*1-4-33(25-9-11-26(34)12-10-25)17-22-40(23-18-33)29-6-5-19-41-30(29)36-32(37-41)35-27-13-7-24(8-14-27)31(42)39(3)28-15-20-38(2)21-16-28;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;2*1-17(2,3)23-16(21)20-11-9-18(10-12-20,13-22-4)14-5-7-15(19)8-6-14;2*1-5-18(14-6-8-15(19)9-7-14)10-12-20(13-11-18)16(21)22-17(2,3)4;1-2-14(10-4-3-5-11-14)12-6-8-13(15)9-7-12/h2*5-14,19,28H,4,15-18,20-23H2,1-3H3,(H,35,37);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);2*5-8H,9-13H2,1-4H3;2*6-9H,5,10-13H2,1-4H3;6-9H,2-5,10-11H2,1H3.
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;bis(tert-butyl 4-(4-chlorophenyl)-4-ethylpiperidine-1-carboxylate);bis(tert-butyl 4-(4-chlorophenyl)-4-(methoxymethyl)piperidine-1-carboxylate);1-chloro-4-(1-ethylcyclohexyl)benzene;bis(4-[[8-[4-(4-chlorophenyl)-4-ethylpiperidin-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;bis(tert-butyl 4-(4-chlorophenyl)-4-ethylpiperidine-1-carboxylate);bis(tert-butyl 4-(4-chlorophenyl)-4-(methoxymethyl)piperidine-1-carboxylate);1-chloro-4-(1-ethylcyclohexyl)benzene;bis(4-[[8-[4-(4-chlorophenyl)-4-ethylpiperidin-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 3165.93 g/mol, XLogP of 39.38, 30 rotatable bonds, 3 hydrogen bond donors, and 30 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;bis(tert-butyl 4-(4-chlorophenyl)-4-ethylpiperidine-1-carboxylate);bis(tert-butyl 4-(4-chlorophenyl)-4-(methoxymethyl)piperidine-1-carboxylate);1-chloro-4-(1-ethylcyclohexyl)benzene;bis(4-[[8-[4-(4-chlorophenyl)-4-ethylpiperidin-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 158374221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).