4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[1-(4-chlorophenyl)cyclohexyl]butan-2-one;4-[[8-[4-(4-chlorophenyl)-4-(3-oxobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C71H86BrCl2N13O4 — CID 157322136

IUPAC4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[1-(4-chlorophenyl)cyclohexyl]butan-2-one;4-[[8-[4-(4-chlorophenyl)-4-(3-oxobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCC(=O)CCC1(c2ccc(Cl)cc2)CCCCC1.CC(=O)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
InChIInChI=1S/C35H42ClN7O2.C20H23BrN6O.C16H21ClO/c1-25(44)14-17-35(27-8-10-28(36)11-9-27)18-23-42(24-19-35)31-5-4-20-43-32(31)38-34(39-43)37-29-12-6-26(7-13-29)33(45)41(3)30-15-21-40(2)22-16-30;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;1-13(18)9-12-16(10-3-2-4-11-16)14-5-7-15(17)8-6-14/h4-13,20,30H,14-19,21-24H2,1-3H3,(H,37,39);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);5-8H,2-4,9-12H2,1H3
InChIKeyBEHGFZQRCPMNQT-UHFFFAOYSA-N
MW1336.37 g/mol
LogP14.51
Rot. Bonds17

About 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[1-(4-chlorophenyl)cyclohexyl]butan-2-one;4-[[8-[4-(4-chlorophenyl)-4-(3-oxobutyl)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;4-[1-(4-chlorophenyl)cyclohexyl]butan-2-one;4-[[8-[4-(4-chlorophenyl)-4-(3-oxobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 157322136) has the molecular formula C71H86BrCl2N13O4 and a molecular weight of 1336.37 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;4-[1-(4-chlorophenyl)cyclohexyl]butan-2-one;4-[[8-[4-(4-chlorophenyl)-4-(3-oxobutyl)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;4-[1-(4-chlorophenyl)cyclohexyl]butan-2-one;4-[[8-[4-(4-chlorophenyl)-4-(3-oxobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID157322136
Molecular FormulaC71H86BrCl2N13O4
Molecular Weight1336.37 g/mol
Exact Mass1333.55
IUPAC Name4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[1-(4-chlorophenyl)cyclohexyl]butan-2-one;4-[[8-[4-(4-chlorophenyl)-4-(3-oxobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCC(=O)CCC1(c2ccc(Cl)cc2)CCCCC1.CC(=O)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
InChIInChI=1S/C35H42ClN7O2.C20H23BrN6O.C16H21ClO/c1-25(44)14-17-35(27-8-10-28(36)11-9-27)18-23-42(24-19-35)31-5-4-20-43-32(31)38-34(39-43)37-29-12-6-26(7-13-29)33(45)41(3)30-15-21-40(2)22-16-30;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;1-13(18)9-12-16(10-3-2-4-11-16)14-5-7-15(17)8-6-14/h4-13,20,30H,14-19,21-24H2,1-3H3,(H,37,39);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);5-8H,2-4,9-12H2,1H3
InChIKeyBEHGFZQRCPMNQT-UHFFFAOYSA-N
XLogP14.51
TPSA168.92 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001336.37
LogP ≤ 514.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[1-(4-chlorophenyl)cyclohexyl]butan-2-one;4-[[8-[4-(4-chlorophenyl)-4-(3-oxobutyl)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

US9873709, Example 1-256
CID 117940856
US9873709, Example 1-263
CID 117950637
US9873709, Example 1-268
CID 117940761
US9873709, Example 1-265
CID 117940824
US9873709, Example 1-247
CID 117940871
US9873709, Example 1-300
CID 117940902
US9873709, Example 1-30
CID 117950308
US9873709, Example 1-258
CID 117950349
US9873709, Example 1-298
CID 117950551
US9873709, Example 1-299
CID 117950552
US9873709, Example 1-262
CID 117950645
US9873709, Example 1-288
CID 121434906

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;4-[1-(4-chlorophenyl)cyclohexyl]butan-2-one;4-[[8-[4-(4-chlorophenyl)-4-(3-oxobutyl)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;4-[1-(4-chlorophenyl)cyclohexyl]butan-2-one;4-[[8-[4-(4-chlorophenyl)-4-(3-oxobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 157322136) is 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[1-(4-chlorophenyl)cyclohexyl]butan-2-one;4-[[8-[4-(4-chlorophenyl)-4-(3-oxobutyl)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;4-[1-(4-chlorophenyl)cyclohexyl]butan-2-one;4-[[8-[4-(4-chlorophenyl)-4-(3-oxobutyl)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;4-[1-(4-chlorophenyl)cyclohexyl]butan-2-one;4-[[8-[4-(4-chlorophenyl)-4-(3-oxobutyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is CC(=O)CCC1(c2ccc(Cl)cc2)CCCCC1.CC(=O)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.
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;4-[1-(4-chlorophenyl)cyclohexyl]butan-2-one;4-[[8-[4-(4-chlorophenyl)-4-(3-oxobutyl)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 BEHGFZQRCPMNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42ClN7O2.C20H23BrN6O.C16H21ClO/c1-25(44)14-17-35(27-8-10-28(36)11-9-27)18-23-42(24-19-35)31-5-4-20-43-32(31)38-34(39-43)37-29-12-6-26(7-13-29)33(45)41(3)30-15-21-40(2)22-16-30;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;1-13(18)9-12-16(10-3-2-4-11-16)14-5-7-15(17)8-6-14/h4-13,20,30H,14-19,21-24H2,1-3H3,(H,37,39);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);5-8H,2-4,9-12H2,1H3.
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;4-[1-(4-chlorophenyl)cyclohexyl]butan-2-one;4-[[8-[4-(4-chlorophenyl)-4-(3-oxobutyl)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;4-[1-(4-chlorophenyl)cyclohexyl]butan-2-one;4-[[8-[4-(4-chlorophenyl)-4-(3-oxobutyl)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 1336.37 g/mol, XLogP of 14.51, 17 rotatable bonds, 2 hydrogen bond donors, and 15 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;4-[1-(4-chlorophenyl)cyclohexyl]butan-2-one;4-[[8-[4-(4-chlorophenyl)-4-(3-oxobutyl)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 157322136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).