6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;methane;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide

C112H99F7N24O8 — CID 158179248

IUPAC6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;methane;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide
SMILESC.CN(c1cncnc1)c1cc(NC(=O)c2cccc(C(C)(F)F)n2)ccc1F.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cncnc3)ccc2F)c1.Cc1cccc(C(=O)Nc2ccc(F)c(N(C)c3cncnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cncnc3)c2)n1
InChIInChI=1S/C19H16F3N5O.C19H17FN4O.C19H15FN2O2.C18H16FN5O.C18H14FN3O2.C18H17N5O.CH4/c1-19(21,22)17-5-3-4-15(26-17)18(28)25-12-6-7-14(20)16(8-12)27(2)13-9-23-11-24-10-13;1-13-4-3-5-14(8-13)19(25)23-18-9-15(6-7-17(18)20)24(2)16-10-21-12-22-11-16;1-13-4-2-5-14(8-13)19(23)22-16-9-15(20)10-18(11-16)24-17-6-3-7-21-12-17;1-12-4-3-5-16(22-12)18(25)23-13-6-7-15(19)17(8-13)24(2)14-9-20-11-21-10-14;1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17;1-13-5-3-8-17(21-13)18(24)22-14-6-4-7-15(9-14)23(2)16-10-19-12-20-11-16;/h3-11H,1-2H3,(H,25,28);3-12H,1-2H3,(H,23,25);2-12H,1H3,(H,22,23);3-11H,1-2H3,(H,23,25);2-11H,1H3,(H,22,23);3-12H,1-2H3,(H,22,24);1H4
InChIKeyFYJJOLQLYKGZIP-UHFFFAOYSA-N
MW2042.17 g/mol
LogP23.81
Rot. Bonds25

About 6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;methane;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide

6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;methane;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide (PubChem CID 158179248) has the molecular formula C112H99F7N24O8 and a molecular weight of 2042.17 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;methane;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;methane;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide
PubChem CID158179248
Molecular FormulaC112H99F7N24O8
Molecular Weight2042.17 g/mol
Exact Mass2040.80
IUPAC Name6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;methane;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide
SMILESC.CN(c1cncnc1)c1cc(NC(=O)c2cccc(C(C)(F)F)n2)ccc1F.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cncnc3)ccc2F)c1.Cc1cccc(C(=O)Nc2ccc(F)c(N(C)c3cncnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cncnc3)c2)n1
InChIInChI=1S/C19H16F3N5O.C19H17FN4O.C19H15FN2O2.C18H16FN5O.C18H14FN3O2.C18H17N5O.CH4/c1-19(21,22)17-5-3-4-15(26-17)18(28)25-12-6-7-14(20)16(8-12)27(2)13-9-23-11-24-10-13;1-13-4-3-5-14(8-13)19(25)23-18-9-15(6-7-17(18)20)24(2)16-10-21-12-22-11-16;1-13-4-2-5-14(8-13)19(23)22-16-9-15(20)10-18(11-16)24-17-6-3-7-21-12-17;1-12-4-3-5-16(22-12)18(25)23-13-6-7-15(19)17(8-13)24(2)14-9-20-11-21-10-14;1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17;1-13-5-3-8-17(21-13)18(24)22-14-6-4-7-15(9-14)23(2)16-10-19-12-20-11-16;/h3-11H,1-2H3,(H,25,28);3-12H,1-2H3,(H,23,25);2-12H,1H3,(H,22,23);3-11H,1-2H3,(H,23,25);2-11H,1H3,(H,22,23);3-12H,1-2H3,(H,22,24);1H4
InChIKeyFYJJOLQLYKGZIP-UHFFFAOYSA-N
XLogP23.81
TPSA386.48 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002042.17
LogP ≤ 523.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;methane;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-difluorophenyl)-3-[3-(2-{[4-{4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinyl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452611
3-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-2-(propyloxy)phenyl]amino}-4-pyrimidinyl)-imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
CID 59452683
3-[3-[2-[4-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-ethoxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
CID 59452689
N-(2,6-difluorophenyl)-3-[3-[2-[4-(4-piperidin-1-ylpiperidin-1-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452702
N-(2,6-difluorophenyl)-3-(3-{2-[(2-(ethyloxy)-4-{4-[1-(2-fluoroethyl)-4-piperidinyl]-1-piperazinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide
CID 59452746
N-(2,6-difluorophenyl)-3-[3-[2-[2-ethoxy-4-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]piperidin-1-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452796
N-(2,6-difluorophenyl)-3-[3-[2-[2-ethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452849
N-(2,6-difluorophenyl)-3-[3-[2-[4-[4-(3,3-difluoropiperidin-1-yl)piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452903
N-(2,6-difluorophenyl)-3-[3-[2-[4-[4-[4-(2-fluoroethyl)-3-oxopiperazin-1-yl]piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452918
N-(2,6-difluorophenyl)-3-[3-[2-[2-ethoxy-4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452937
3-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
CID 59452959
3-{3-[2-({4-(1,4'-bipiperidin-1'-yl)-2-[(2-methylpropyl)oxy]phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}-N-(2,6-difluorophenyl)benzamide
CID 59452992

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;methane;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;methane;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide (CID 158179248) is 6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;methane;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;methane;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;methane;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide is C.CN(c1cncnc1)c1cc(NC(=O)c2cccc(C(C)(F)F)n2)ccc1F.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cncnc3)ccc2F)c1.Cc1cccc(C(=O)Nc2ccc(F)c(N(C)c3cncnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cncnc3)c2)n1.
What is the InChIKey of 6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;methane;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide?
The InChIKey is FYJJOLQLYKGZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O.C19H17FN4O.C19H15FN2O2.C18H16FN5O.C18H14FN3O2.C18H17N5O.CH4/c1-19(21,22)17-5-3-4-15(26-17)18(28)25-12-6-7-14(20)16(8-12)27(2)13-9-23-11-24-10-13;1-13-4-3-5-14(8-13)19(25)23-18-9-15(6-7-17(18)20)24(2)16-10-21-12-22-11-16;1-13-4-2-5-14(8-13)19(23)22-16-9-15(20)10-18(11-16)24-17-6-3-7-21-12-17;1-12-4-3-5-16(22-12)18(25)23-13-6-7-15(19)17(8-13)24(2)14-9-20-11-21-10-14;1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17;1-13-5-3-8-17(21-13)18(24)22-14-6-4-7-15(9-14)23(2)16-10-19-12-20-11-16;/h3-11H,1-2H3,(H,25,28);3-12H,1-2H3,(H,23,25);2-12H,1H3,(H,22,23);3-11H,1-2H3,(H,23,25);2-11H,1H3,(H,22,23);3-12H,1-2H3,(H,22,24);1H4.
What are the key properties of 6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;methane;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide?
6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;methane;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide has a molecular weight of 2042.17 g/mol, XLogP of 23.81, 25 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;methane;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 158179248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).