4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-[4-(difluoromethyl)phenyl]cyclohexyl]methanol;4-[[8-[4-[4-(difluoromethyl)phenyl]-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C67H80BrF4N13O4 — CID 161081418

IUPAC4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-[4-(difluoromethyl)phenyl]cyclohexyl]methanol;4-[[8-[4-[4-(difluoromethyl)phenyl]-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5CCC(CO)(c6ccc(C(F)F)cc6)CC5)cccn4n3)cc2)CC1.OCC1(c2ccc(C(F)F)cc2)CCCCC1
InChIInChI=1S/C33H39F2N7O2.C20H23BrN6O.C14H18F2O/c1-39-18-13-27(14-19-39)40(2)31(44)24-7-11-26(12-8-24)36-32-37-30-28(4-3-17-42(30)38-32)41-20-15-33(22-43,16-21-41)25-9-5-23(6-10-25)29(34)35;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;15-13(16)11-4-6-12(7-5-11)14(10-17)8-2-1-3-9-14/h3-12,17,27,29,43H,13-16,18-22H2,1-2H3,(H,36,38);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);4-7,13,17H,1-3,8-10H2
InChIKeyUFYQOQPMKRUYSR-UHFFFAOYSA-N
MW1287.36 g/mol
LogP12.33
Rot. Bonds15

About 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-[4-(difluoromethyl)phenyl]cyclohexyl]methanol;4-[[8-[4-[4-(difluoromethyl)phenyl]-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;[1-[4-(difluoromethyl)phenyl]cyclohexyl]methanol;4-[[8-[4-[4-(difluoromethyl)phenyl]-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 161081418) has the molecular formula C67H80BrF4N13O4 and a molecular weight of 1287.36 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;[1-[4-(difluoromethyl)phenyl]cyclohexyl]methanol;4-[[8-[4-[4-(difluoromethyl)phenyl]-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;[1-[4-(difluoromethyl)phenyl]cyclohexyl]methanol;4-[[8-[4-[4-(difluoromethyl)phenyl]-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 CID161081418
Molecular FormulaC67H80BrF4N13O4
Molecular Weight1287.36 g/mol
Exact Mass1285.56
IUPAC Name4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-[4-(difluoromethyl)phenyl]cyclohexyl]methanol;4-[[8-[4-[4-(difluoromethyl)phenyl]-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5CCC(CO)(c6ccc(C(F)F)cc6)CC5)cccn4n3)cc2)CC1.OCC1(c2ccc(C(F)F)cc2)CCCCC1
InChIInChI=1S/C33H39F2N7O2.C20H23BrN6O.C14H18F2O/c1-39-18-13-27(14-19-39)40(2)31(44)24-7-11-26(12-8-24)36-32-37-30-28(4-3-17-42(30)38-32)41-20-15-33(22-43,16-21-41)25-9-5-23(6-10-25)29(34)35;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;15-13(16)11-4-6-12(7-5-11)14(10-17)8-2-1-3-9-14/h3-12,17,27,29,43H,13-16,18-22H2,1-2H3,(H,36,38);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);4-7,13,17H,1-3,8-10H2
InChIKeyUFYQOQPMKRUYSR-UHFFFAOYSA-N
XLogP12.33
TPSA175.24 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001287.36
LogP ≤ 512.33
H-Bond Donors ≤ 54
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;[1-[4-(difluoromethyl)phenyl]cyclohexyl]methanol;4-[[8-[4-[4-(difluoromethyl)phenyl]-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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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;[1-[4-(difluoromethyl)phenyl]cyclohexyl]methanol;4-[[8-[4-[4-(difluoromethyl)phenyl]-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;[1-[4-(difluoromethyl)phenyl]cyclohexyl]methanol;4-[[8-[4-[4-(difluoromethyl)phenyl]-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 161081418) is 4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[1-[4-(difluoromethyl)phenyl]cyclohexyl]methanol;4-[[8-[4-[4-(difluoromethyl)phenyl]-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;[1-[4-(difluoromethyl)phenyl]cyclohexyl]methanol;4-[[8-[4-[4-(difluoromethyl)phenyl]-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;[1-[4-(difluoromethyl)phenyl]cyclohexyl]methanol;4-[[8-[4-[4-(difluoromethyl)phenyl]-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 CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5CCC(CO)(c6ccc(C(F)F)cc6)CC5)cccn4n3)cc2)CC1.OCC1(c2ccc(C(F)F)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;[1-[4-(difluoromethyl)phenyl]cyclohexyl]methanol;4-[[8-[4-[4-(difluoromethyl)phenyl]-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 UFYQOQPMKRUYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39F2N7O2.C20H23BrN6O.C14H18F2O/c1-39-18-13-27(14-19-39)40(2)31(44)24-7-11-26(12-8-24)36-32-37-30-28(4-3-17-42(30)38-32)41-20-15-33(22-43,16-21-41)25-9-5-23(6-10-25)29(34)35;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;15-13(16)11-4-6-12(7-5-11)14(10-17)8-2-1-3-9-14/h3-12,17,27,29,43H,13-16,18-22H2,1-2H3,(H,36,38);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);4-7,13,17H,1-3,8-10H2.
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;[1-[4-(difluoromethyl)phenyl]cyclohexyl]methanol;4-[[8-[4-[4-(difluoromethyl)phenyl]-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;[1-[4-(difluoromethyl)phenyl]cyclohexyl]methanol;4-[[8-[4-[4-(difluoromethyl)phenyl]-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 1287.36 g/mol, XLogP of 12.33, 15 rotatable bonds, 4 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;[1-[4-(difluoromethyl)phenyl]cyclohexyl]methanol;4-[[8-[4-[4-(difluoromethyl)phenyl]-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 161081418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).