N-(2,2-difluoroethyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(3-fluoropropyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide

C92H105F6N27O10 — CID 158293306

IUPACN-(2,2-difluoroethyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(3-fluoropropyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cc(C(=O)N(C)CC(F)(F)F)ccc1Nc1nc2ccc(C)cn2n1.COc1cc(C(=O)N(C)CCN(C)C)ccc1Nc1nc2ccc(C)cn2n1.COc1cc(C(=O)NCC(F)F)ccc1Nc1nc2ccc(C)cn2n1.COc1cc(C(=O)NCCCF)ccc1Nc1nc2ccc(C)cn2n1.COc1cc(C(=O)NCCN(C)C)ccc1Nc1nc2ccc(C)cn2n1
InChIInChI=1S/C20H26N6O2.C19H24N6O2.C18H18F3N5O2.C18H20FN5O2.C17H17F2N5O2/c1-14-6-9-18-22-20(23-26(18)13-14)21-16-8-7-15(12-17(16)28-5)19(27)25(4)11-10-24(2)3;1-13-5-8-17-22-19(23-25(17)12-13)21-15-7-6-14(11-16(15)27-4)18(26)20-9-10-24(2)3;1-11-4-7-15-23-17(24-26(15)9-11)22-13-6-5-12(8-14(13)28-3)16(27)25(2)10-18(19,20)21;1-12-4-7-16-22-18(23-24(16)11-12)21-14-6-5-13(10-15(14)26-2)17(25)20-9-3-8-19;1-10-3-6-15-22-17(23-24(15)9-10)21-12-5-4-11(7-13(12)26-2)16(25)20-8-14(18)19/h6-9,12-13H,10-11H2,1-5H3,(H,21,23);5-8,11-12H,9-10H2,1-4H3,(H,20,26)(H,21,23);4-9H,10H2,1-3H3,(H,22,24);4-7,10-11H,3,8-9H2,1-2H3,(H,20,25)(H,21,23);3-7,9,14H,8H2,1-2H3,(H,20,25)(H,21,23)
InChIKeyGLPPCTKSBJLYRP-UHFFFAOYSA-N
MW1863.02 g/mol
LogP13.59
Rot. Bonds32

About N-(2,2-difluoroethyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(3-fluoropropyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide

N-(2,2-difluoroethyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(3-fluoropropyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 158293306) has the molecular formula C92H105F6N27O10 and a molecular weight of 1863.02 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(3-fluoropropyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(3-fluoropropyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID158293306
Molecular FormulaC92H105F6N27O10
Molecular Weight1863.02 g/mol
Exact Mass1861.84
IUPAC NameN-(2,2-difluoroethyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(3-fluoropropyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cc(C(=O)N(C)CC(F)(F)F)ccc1Nc1nc2ccc(C)cn2n1.COc1cc(C(=O)N(C)CCN(C)C)ccc1Nc1nc2ccc(C)cn2n1.COc1cc(C(=O)NCC(F)F)ccc1Nc1nc2ccc(C)cn2n1.COc1cc(C(=O)NCCCF)ccc1Nc1nc2ccc(C)cn2n1.COc1cc(C(=O)NCCN(C)C)ccc1Nc1nc2ccc(C)cn2n1
InChIInChI=1S/C20H26N6O2.C19H24N6O2.C18H18F3N5O2.C18H20FN5O2.C17H17F2N5O2/c1-14-6-9-18-22-20(23-26(18)13-14)21-16-8-7-15(12-17(16)28-5)19(27)25(4)11-10-24(2)3;1-13-5-8-17-22-19(23-25(17)12-13)21-15-7-6-14(11-16(15)27-4)18(26)20-9-10-24(2)3;1-11-4-7-15-23-17(24-26(15)9-11)22-13-6-5-12(8-14(13)28-3)16(27)25(2)10-18(19,20)21;1-12-4-7-16-22-18(23-24(16)11-12)21-14-6-5-13(10-15(14)26-2)17(25)20-9-3-8-19;1-10-3-6-15-22-17(23-24(15)9-10)21-12-5-4-11(7-13(12)26-2)16(25)20-8-14(18)19/h6-9,12-13H,10-11H2,1-5H3,(H,21,23);5-8,11-12H,9-10H2,1-4H3,(H,20,26)(H,21,23);4-9H,10H2,1-3H3,(H,22,24);4-7,10-11H,3,8-9H2,1-2H3,(H,20,25)(H,21,23);3-7,9,14H,8H2,1-2H3,(H,20,25)(H,21,23)
InChIKeyGLPPCTKSBJLYRP-UHFFFAOYSA-N
XLogP13.59
TPSA391.65 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001863.02
LogP ≤ 513.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2,2-difluoroethyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(3-fluoropropyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide with MolForge

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Related Compounds

US9555022, Example 02.09
CID 54768802
US9555022, Example 02.01
CID 54771711
US9555022, Example 02.16
CID 68002699
US9555022, Example 02.06
CID 54768801
US9555022, Example 06.01
CID 54768808
US9555022, Example 04.01
CID 54769037
US9555022, Example 04.02
CID 54769038
US9555022, Example 02.10
CID 54769270
US9555022, Example 02.31
CID 54770144
US9555022, Example 04.22
CID 54771714
US9555022, Example 04.24
CID 54771946
US9555022, Example 02.02
CID 54772171

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(3-fluoropropyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(2,2-difluoroethyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(3-fluoropropyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 158293306) is N-(2,2-difluoroethyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(3-fluoropropyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(3-fluoropropyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(3-fluoropropyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide is COc1cc(C(=O)N(C)CC(F)(F)F)ccc1Nc1nc2ccc(C)cn2n1.COc1cc(C(=O)N(C)CCN(C)C)ccc1Nc1nc2ccc(C)cn2n1.COc1cc(C(=O)NCC(F)F)ccc1Nc1nc2ccc(C)cn2n1.COc1cc(C(=O)NCCCF)ccc1Nc1nc2ccc(C)cn2n1.COc1cc(C(=O)NCCN(C)C)ccc1Nc1nc2ccc(C)cn2n1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(3-fluoropropyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is GLPPCTKSBJLYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2.C19H24N6O2.C18H18F3N5O2.C18H20FN5O2.C17H17F2N5O2/c1-14-6-9-18-22-20(23-26(18)13-14)21-16-8-7-15(12-17(16)28-5)19(27)25(4)11-10-24(2)3;1-13-5-8-17-22-19(23-25(17)12-13)21-15-7-6-14(11-16(15)27-4)18(26)20-9-10-24(2)3;1-11-4-7-15-23-17(24-26(15)9-11)22-13-6-5-12(8-14(13)28-3)16(27)25(2)10-18(19,20)21;1-12-4-7-16-22-18(23-24(16)11-12)21-14-6-5-13(10-15(14)26-2)17(25)20-9-3-8-19;1-10-3-6-15-22-17(23-24(15)9-10)21-12-5-4-11(7-13(12)26-2)16(25)20-8-14(18)19/h6-9,12-13H,10-11H2,1-5H3,(H,21,23);5-8,11-12H,9-10H2,1-4H3,(H,20,26)(H,21,23);4-9H,10H2,1-3H3,(H,22,24);4-7,10-11H,3,8-9H2,1-2H3,(H,20,25)(H,21,23);3-7,9,14H,8H2,1-2H3,(H,20,25)(H,21,23).
What are the key properties of N-(2,2-difluoroethyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(3-fluoropropyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide?
N-(2,2-difluoroethyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(3-fluoropropyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 1863.02 g/mol, XLogP of 13.59, 32 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(3-fluoropropyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 158293306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).