4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;3,3-dimethylazetidine;4-[[8-[4-(3,3-dimethylazetidine-1-carbonyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidine-4-carboxylic acid;1-piperidin-4-ylbutan-1-one

C91H126BrN23O7 — CID 159940894

IUPAC4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;3,3-dimethylazetidine;4-[[8-[4-(3,3-dimethylazetidine-1-carbonyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidine-4-carboxylic acid;1-piperidin-4-ylbutan-1-one
SMILESCC1(C)CNC1.CCCC(=O)C1CCNCC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5CCC(C(=O)N6CC(C)(C)C6)CC5)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5CCC(C(=O)O)CC5)cccn4n3)cc2)CC1
InChIInChI=1S/C31H42N8O2.C26H33N7O3.C20H23BrN6O.C9H17NO.C5H11N/c1-31(2)20-38(21-31)29(41)23-11-18-37(19-12-23)26-6-5-15-39-27(26)33-30(34-39)32-24-9-7-22(8-10-24)28(40)36(4)25-13-16-35(3)17-14-25;1-30-14-11-21(12-15-30)31(2)24(34)18-5-7-20(8-6-18)27-26-28-23-22(4-3-13-33(23)29-26)32-16-9-19(10-17-32)25(35)36;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;1-2-3-9(11)8-4-6-10-7-5-8;1-5(2)3-6-4-5/h5-10,15,23,25H,11-14,16-21H2,1-4H3,(H,32,34);3-8,13,19,21H,9-12,14-17H2,1-2H3,(H,27,29)(H,35,36);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);8,10H,2-7H2,1H3;6H,3-4H2,1-2H3
InChIKeyOAWBLMUKFSIEFR-UHFFFAOYSA-N
MW1734.07 g/mol
LogP12.04
Rot. Bonds19

About 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;3,3-dimethylazetidine;4-[[8-[4-(3,3-dimethylazetidine-1-carbonyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidine-4-carboxylic acid;1-piperidin-4-ylbutan-1-one

4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;3,3-dimethylazetidine;4-[[8-[4-(3,3-dimethylazetidine-1-carbonyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidine-4-carboxylic acid;1-piperidin-4-ylbutan-1-one (PubChem CID 159940894) has the molecular formula C91H126BrN23O7 and a molecular weight of 1734.07 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;3,3-dimethylazetidine;4-[[8-[4-(3,3-dimethylazetidine-1-carbonyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidine-4-carboxylic acid;1-piperidin-4-ylbutan-1-one.

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;3,3-dimethylazetidine;4-[[8-[4-(3,3-dimethylazetidine-1-carbonyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidine-4-carboxylic acid;1-piperidin-4-ylbutan-1-one
PubChem CID159940894
Molecular FormulaC91H126BrN23O7
Molecular Weight1734.07 g/mol
Exact Mass1731.94
IUPAC Name4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;3,3-dimethylazetidine;4-[[8-[4-(3,3-dimethylazetidine-1-carbonyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidine-4-carboxylic acid;1-piperidin-4-ylbutan-1-one
SMILESCC1(C)CNC1.CCCC(=O)C1CCNCC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5CCC(C(=O)N6CC(C)(C)C6)CC5)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5CCC(C(=O)O)CC5)cccn4n3)cc2)CC1
InChIInChI=1S/C31H42N8O2.C26H33N7O3.C20H23BrN6O.C9H17NO.C5H11N/c1-31(2)20-38(21-31)29(41)23-11-18-37(19-12-23)26-6-5-15-39-27(26)33-30(34-39)32-24-9-7-22(8-10-24)28(40)36(4)25-13-16-35(3)17-14-25;1-30-14-11-21(12-15-30)31(2)24(34)18-5-7-20(8-6-18)27-26-28-23-22(4-3-13-33(23)29-26)32-16-9-19(10-17-32)25(35)36;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;1-2-3-9(11)8-4-6-10-7-5-8;1-5(2)3-6-4-5/h5-10,15,23,25H,11-14,16-21H2,1-4H3,(H,32,34);3-8,13,19,21H,9-12,14-17H2,1-2H3,(H,27,29)(H,35,36);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);8,10H,2-7H2,1H3;6H,3-4H2,1-2H3
InChIKeyOAWBLMUKFSIEFR-UHFFFAOYSA-N
XLogP12.04
TPSA302.53 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001734.07
LogP ≤ 512.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;3,3-dimethylazetidine;4-[[8-[4-(3,3-dimethylazetidine-1-carbonyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidine-4-carboxylic acid;1-piperidin-4-ylbutan-1-one 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;3,3-dimethylazetidine;4-[[8-[4-(3,3-dimethylazetidine-1-carbonyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidine-4-carboxylic acid;1-piperidin-4-ylbutan-1-one?
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;3,3-dimethylazetidine;4-[[8-[4-(3,3-dimethylazetidine-1-carbonyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidine-4-carboxylic acid;1-piperidin-4-ylbutan-1-one (CID 159940894) is 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;3,3-dimethylazetidine;4-[[8-[4-(3,3-dimethylazetidine-1-carbonyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidine-4-carboxylic acid;1-piperidin-4-ylbutan-1-one.
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;3,3-dimethylazetidine;4-[[8-[4-(3,3-dimethylazetidine-1-carbonyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidine-4-carboxylic acid;1-piperidin-4-ylbutan-1-one?
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;3,3-dimethylazetidine;4-[[8-[4-(3,3-dimethylazetidine-1-carbonyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidine-4-carboxylic acid;1-piperidin-4-ylbutan-1-one is CC1(C)CNC1.CCCC(=O)C1CCNCC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5CCC(C(=O)N6CC(C)(C)C6)CC5)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5CCC(C(=O)O)CC5)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;3,3-dimethylazetidine;4-[[8-[4-(3,3-dimethylazetidine-1-carbonyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidine-4-carboxylic acid;1-piperidin-4-ylbutan-1-one?
The InChIKey is OAWBLMUKFSIEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N8O2.C26H33N7O3.C20H23BrN6O.C9H17NO.C5H11N/c1-31(2)20-38(21-31)29(41)23-11-18-37(19-12-23)26-6-5-15-39-27(26)33-30(34-39)32-24-9-7-22(8-10-24)28(40)36(4)25-13-16-35(3)17-14-25;1-30-14-11-21(12-15-30)31(2)24(34)18-5-7-20(8-6-18)27-26-28-23-22(4-3-13-33(23)29-26)32-16-9-19(10-17-32)25(35)36;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;1-2-3-9(11)8-4-6-10-7-5-8;1-5(2)3-6-4-5/h5-10,15,23,25H,11-14,16-21H2,1-4H3,(H,32,34);3-8,13,19,21H,9-12,14-17H2,1-2H3,(H,27,29)(H,35,36);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);8,10H,2-7H2,1H3;6H,3-4H2,1-2H3.
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;3,3-dimethylazetidine;4-[[8-[4-(3,3-dimethylazetidine-1-carbonyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidine-4-carboxylic acid;1-piperidin-4-ylbutan-1-one?
4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;3,3-dimethylazetidine;4-[[8-[4-(3,3-dimethylazetidine-1-carbonyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidine-4-carboxylic acid;1-piperidin-4-ylbutan-1-one has a molecular weight of 1734.07 g/mol, XLogP of 12.04, 19 rotatable bonds, 6 hydrogen bond donors, and 25 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;3,3-dimethylazetidine;4-[[8-[4-(3,3-dimethylazetidine-1-carbonyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-[2-[4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidine-4-carboxylic acid;1-piperidin-4-ylbutan-1-one is sourced from PubChem (CID 159940894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).