N-[2-(difluoromethoxy)-4-propan-2-ylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(dimethylamino)ethyl]-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;N-(1-hydroxy-2-methylpropan-2-yl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;6-methyl-N-[4-[(R)-methylsulfinyl]-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(trifluoromethoxy)benzamide

C88H90F14N24O12S2 — CID 158555175

IUPACN-[2-(difluoromethoxy)-4-propan-2-ylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(dimethylamino)ethyl]-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;N-(1-hydroxy-2-methylpropan-2-yl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;6-methyl-N-[4-[(R)-methylsulfinyl]-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(trifluoromethoxy)benzamide
SMILESCc1ccc2nc(Nc3ccc(C(=O)NC(C)(C)CO)cc3OCC(F)(F)F)nn2c1.Cc1ccc2nc(Nc3ccc(C(=O)NCCN(C)C)cc3OCC(F)(F)F)nn2c1.Cc1ccc2nc(Nc3ccc(C(N)=O)cc3OC(F)(F)F)nn2c1.Cc1ccc2nc(Nc3ccc(S(=O)(=O)C(C)C)cc3OC(F)F)nn2c1.Cc1ccc2nc(Nc3ccc([S@@](C)=O)cc3OCC(F)(F)F)nn2c1
InChIInChI=1S/C20H23F3N6O2.C20H22F3N5O3.C17H18F2N4O3S.C16H15F3N4O2S.C15H12F3N5O2/c1-13-4-7-17-26-19(27-29(17)11-13)25-15-6-5-14(18(30)24-8-9-28(2)3)10-16(15)31-12-20(21,22)23;1-12-4-7-16-25-18(27-28(16)9-12)24-14-6-5-13(17(30)26-19(2,3)10-29)8-15(14)31-11-20(21,22)23;1-10(2)27(24,25)12-5-6-13(14(8-12)26-16(18)19)20-17-21-15-7-4-11(3)9-23(15)22-17;1-10-3-6-14-21-15(22-23(14)8-10)20-12-5-4-11(26(2)24)7-13(12)25-9-16(17,18)19;1-8-2-5-12-21-14(22-23(12)7-8)20-10-4-3-9(13(19)24)6-11(10)25-15(16,17)18/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,30)(H,25,27);4-9,29H,10-11H2,1-3H3,(H,24,27)(H,26,30);4-10,16H,1-3H3,(H,20,22);3-8H,9H2,1-2H3,(H,20,22);2-7H,1H3,(H2,19,24)(H,20,22)/t;;;26-;/m...1./s1
InChIKeyHQEWAPLWRHYPFU-LDVSHGNVSA-N
MW2005.95 g/mol
LogP16.04
Rot. Bonds30

About N-[2-(difluoromethoxy)-4-propan-2-ylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(dimethylamino)ethyl]-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;N-(1-hydroxy-2-methylpropan-2-yl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;6-methyl-N-[4-[(R)-methylsulfinyl]-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(trifluoromethoxy)benzamide

N-[2-(difluoromethoxy)-4-propan-2-ylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(dimethylamino)ethyl]-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;N-(1-hydroxy-2-methylpropan-2-yl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;6-methyl-N-[4-[(R)-methylsulfinyl]-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(trifluoromethoxy)benzamide (PubChem CID 158555175) has the molecular formula C88H90F14N24O12S2 and a molecular weight of 2005.95 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-propan-2-ylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(dimethylamino)ethyl]-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;N-(1-hydroxy-2-methylpropan-2-yl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;6-methyl-N-[4-[(R)-methylsulfinyl]-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-propan-2-ylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(dimethylamino)ethyl]-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;N-(1-hydroxy-2-methylpropan-2-yl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;6-methyl-N-[4-[(R)-methylsulfinyl]-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(trifluoromethoxy)benzamide
PubChem CID158555175
Molecular FormulaC88H90F14N24O12S2
Molecular Weight2005.95 g/mol
Exact Mass2004.64
IUPAC NameN-[2-(difluoromethoxy)-4-propan-2-ylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(dimethylamino)ethyl]-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;N-(1-hydroxy-2-methylpropan-2-yl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;6-methyl-N-[4-[(R)-methylsulfinyl]-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(trifluoromethoxy)benzamide
SMILESCc1ccc2nc(Nc3ccc(C(=O)NC(C)(C)CO)cc3OCC(F)(F)F)nn2c1.Cc1ccc2nc(Nc3ccc(C(=O)NCCN(C)C)cc3OCC(F)(F)F)nn2c1.Cc1ccc2nc(Nc3ccc(C(N)=O)cc3OC(F)(F)F)nn2c1.Cc1ccc2nc(Nc3ccc(S(=O)(=O)C(C)C)cc3OC(F)F)nn2c1.Cc1ccc2nc(Nc3ccc([S@@](C)=O)cc3OCC(F)(F)F)nn2c1
InChIInChI=1S/C20H23F3N6O2.C20H22F3N5O3.C17H18F2N4O3S.C16H15F3N4O2S.C15H12F3N5O2/c1-13-4-7-17-26-19(27-29(17)11-13)25-15-6-5-14(18(30)24-8-9-28(2)3)10-16(15)31-12-20(21,22)23;1-12-4-7-16-25-18(27-28(16)9-12)24-14-6-5-13(17(30)26-19(2,3)10-29)8-15(14)31-11-20(21,22)23;1-10(2)27(24,25)12-5-6-13(14(8-12)26-16(18)19)20-17-21-15-7-4-11(3)9-23(15)22-17;1-10-3-6-14-21-15(22-23(14)8-10)20-12-5-4-11(26(2)24)7-13(12)25-9-16(17,18)19;1-8-2-5-12-21-14(22-23(12)7-8)20-10-4-3-9(13(19)24)6-11(10)25-15(16,17)18/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,30)(H,25,27);4-9,29H,10-11H2,1-3H3,(H,24,27)(H,26,30);4-10,16H,1-3H3,(H,20,22);3-8H,9H2,1-2H3,(H,20,22);2-7H,1H3,(H2,19,24)(H,20,22)/t;;;26-;/m...1./s1
InChIKeyHQEWAPLWRHYPFU-LDVSHGNVSA-N
XLogP16.04
TPSA433.22 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds30
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002005.95
LogP ≤ 516.04
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Analyze N-[2-(difluoromethoxy)-4-propan-2-ylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(dimethylamino)ethyl]-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;N-(1-hydroxy-2-methylpropan-2-yl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;6-methyl-N-[4-[(R)-methylsulfinyl]-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(trifluoromethoxy)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-propan-2-ylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(dimethylamino)ethyl]-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;N-(1-hydroxy-2-methylpropan-2-yl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;6-methyl-N-[4-[(R)-methylsulfinyl]-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-propan-2-ylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(dimethylamino)ethyl]-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;N-(1-hydroxy-2-methylpropan-2-yl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;6-methyl-N-[4-[(R)-methylsulfinyl]-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(trifluoromethoxy)benzamide (CID 158555175) is N-[2-(difluoromethoxy)-4-propan-2-ylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(dimethylamino)ethyl]-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;N-(1-hydroxy-2-methylpropan-2-yl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;6-methyl-N-[4-[(R)-methylsulfinyl]-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-propan-2-ylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(dimethylamino)ethyl]-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;N-(1-hydroxy-2-methylpropan-2-yl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;6-methyl-N-[4-[(R)-methylsulfinyl]-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-propan-2-ylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(dimethylamino)ethyl]-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;N-(1-hydroxy-2-methylpropan-2-yl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;6-methyl-N-[4-[(R)-methylsulfinyl]-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(trifluoromethoxy)benzamide is Cc1ccc2nc(Nc3ccc(C(=O)NC(C)(C)CO)cc3OCC(F)(F)F)nn2c1.Cc1ccc2nc(Nc3ccc(C(=O)NCCN(C)C)cc3OCC(F)(F)F)nn2c1.Cc1ccc2nc(Nc3ccc(C(N)=O)cc3OC(F)(F)F)nn2c1.Cc1ccc2nc(Nc3ccc(S(=O)(=O)C(C)C)cc3OC(F)F)nn2c1.Cc1ccc2nc(Nc3ccc([S@@](C)=O)cc3OCC(F)(F)F)nn2c1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-propan-2-ylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(dimethylamino)ethyl]-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;N-(1-hydroxy-2-methylpropan-2-yl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;6-methyl-N-[4-[(R)-methylsulfinyl]-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(trifluoromethoxy)benzamide?
The InChIKey is HQEWAPLWRHYPFU-LDVSHGNVSA-N. The full InChI is InChI=1S/C20H23F3N6O2.C20H22F3N5O3.C17H18F2N4O3S.C16H15F3N4O2S.C15H12F3N5O2/c1-13-4-7-17-26-19(27-29(17)11-13)25-15-6-5-14(18(30)24-8-9-28(2)3)10-16(15)31-12-20(21,22)23;1-12-4-7-16-25-18(27-28(16)9-12)24-14-6-5-13(17(30)26-19(2,3)10-29)8-15(14)31-11-20(21,22)23;1-10(2)27(24,25)12-5-6-13(14(8-12)26-16(18)19)20-17-21-15-7-4-11(3)9-23(15)22-17;1-10-3-6-14-21-15(22-23(14)8-10)20-12-5-4-11(26(2)24)7-13(12)25-9-16(17,18)19;1-8-2-5-12-21-14(22-23(12)7-8)20-10-4-3-9(13(19)24)6-11(10)25-15(16,17)18/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,30)(H,25,27);4-9,29H,10-11H2,1-3H3,(H,24,27)(H,26,30);4-10,16H,1-3H3,(H,20,22);3-8H,9H2,1-2H3,(H,20,22);2-7H,1H3,(H2,19,24)(H,20,22)/t;;;26-;/m...1./s1.
What are the key properties of N-[2-(difluoromethoxy)-4-propan-2-ylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(dimethylamino)ethyl]-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;N-(1-hydroxy-2-methylpropan-2-yl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;6-methyl-N-[4-[(R)-methylsulfinyl]-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(trifluoromethoxy)benzamide?
N-[2-(difluoromethoxy)-4-propan-2-ylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(dimethylamino)ethyl]-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;N-(1-hydroxy-2-methylpropan-2-yl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;6-methyl-N-[4-[(R)-methylsulfinyl]-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(trifluoromethoxy)benzamide has a molecular weight of 2005.95 g/mol, XLogP of 16.04, 30 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-propan-2-ylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(dimethylamino)ethyl]-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;N-(1-hydroxy-2-methylpropan-2-yl)-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;6-methyl-N-[4-[(R)-methylsulfinyl]-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 158555175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).