N-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(7-methyl-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;7-methyl-N-[2-methyl-5-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine

C81H62F9N19O4S — CID 164999295

IUPACN-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(7-methyl-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;7-methyl-N-[2-methyl-5-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)co2)cc1Nc1nc(-c2cccnc2)nc2c1ccn2C.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12.Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1ccn2C
InChIInChI=1S/C29H21F3N6O.C26H20F3N7O.C26H21F3N6O2S/c1-17-8-9-19(28-35-24(16-39-28)18-5-3-7-21(13-18)29(30,31)32)14-23(17)34-26-22-10-12-38(2)27(22)37-25(36-26)20-6-4-11-33-15-20;1-15-8-9-19(31-25(37)16-5-3-7-18(11-16)26(27,28)29)12-21(15)32-23-20-14-36(2)35-24(20)34-22(33-23)17-6-4-10-30-13-17;1-16-8-9-20(38(36,37)34-19-7-3-6-18(13-19)26(27,28)29)14-22(16)31-24-21-10-12-35(2)25(21)33-23(32-24)17-5-4-11-30-15-17/h3-16H,1-2H3,(H,34,36,37);3-14H,1-2H3,(H,31,37)(H,32,33,34,35);3-15,34H,1-2H3,(H,31,32,33)
InChIKeyHZVPXDQWKFNMGY-UHFFFAOYSA-N
MW1568.56 g/mol
LogP19.07
Rot. Bonds16

About N-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(7-methyl-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;7-methyl-N-[2-methyl-5-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine

N-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(7-methyl-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;7-methyl-N-[2-methyl-5-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 164999295) has the molecular formula C81H62F9N19O4S and a molecular weight of 1568.56 g/mol. Its IUPAC name is N-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(7-methyl-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;7-methyl-N-[2-methyl-5-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(7-methyl-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;7-methyl-N-[2-methyl-5-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID164999295
Molecular FormulaC81H62F9N19O4S
Molecular Weight1568.56 g/mol
Exact Mass1567.48
IUPAC NameN-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(7-methyl-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;7-methyl-N-[2-methyl-5-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)co2)cc1Nc1nc(-c2cccnc2)nc2c1ccn2C.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12.Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1ccn2C
InChIInChI=1S/C29H21F3N6O.C26H20F3N7O.C26H21F3N6O2S/c1-17-8-9-19(28-35-24(16-39-28)18-5-3-7-21(13-18)29(30,31)32)14-23(17)34-26-22-10-12-38(2)27(22)37-25(36-26)20-6-4-11-33-15-20;1-15-8-9-19(31-25(37)16-5-3-7-18(11-16)26(27,28)29)12-21(15)32-23-20-14-36(2)35-24(20)34-22(33-23)17-6-4-10-30-13-17;1-16-8-9-20(38(36,37)34-19-7-3-6-18(13-19)26(27,28)29)14-22(16)31-24-21-10-12-35(2)25(21)33-23(32-24)17-5-4-11-30-15-17/h3-16H,1-2H3,(H,34,36,37);3-14H,1-2H3,(H,31,37)(H,32,33,34,35);3-15,34H,1-2H3,(H,31,32,33)
InChIKeyHZVPXDQWKFNMGY-UHFFFAOYSA-N
XLogP19.07
TPSA281.08 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001568.56
LogP ≤ 519.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze N-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(7-methyl-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;7-methyl-N-[2-methyl-5-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;piperazine;4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole;hydrochloride
CID 174950642
N-(furan-3-ylmethyl)-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;N-methyl-4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;4-methyl-N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;5-[4-(pyrazol-1-ylmethyl)phenyl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 160590493

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(7-methyl-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;7-methyl-N-[2-methyl-5-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(7-methyl-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;7-methyl-N-[2-methyl-5-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 164999295) is N-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(7-methyl-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;7-methyl-N-[2-methyl-5-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(7-methyl-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;7-methyl-N-[2-methyl-5-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(7-methyl-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;7-methyl-N-[2-methyl-5-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)co2)cc1Nc1nc(-c2cccnc2)nc2c1ccn2C.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12.Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1ccn2C.
What is the InChIKey of N-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(7-methyl-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;7-methyl-N-[2-methyl-5-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HZVPXDQWKFNMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N6O.C26H20F3N7O.C26H21F3N6O2S/c1-17-8-9-19(28-35-24(16-39-28)18-5-3-7-21(13-18)29(30,31)32)14-23(17)34-26-22-10-12-38(2)27(22)37-25(36-26)20-6-4-11-33-15-20;1-15-8-9-19(31-25(37)16-5-3-7-18(11-16)26(27,28)29)12-21(15)32-23-20-14-36(2)35-24(20)34-22(33-23)17-6-4-10-30-13-17;1-16-8-9-20(38(36,37)34-19-7-3-6-18(13-19)26(27,28)29)14-22(16)31-24-21-10-12-35(2)25(21)33-23(32-24)17-5-4-11-30-15-17/h3-16H,1-2H3,(H,34,36,37);3-14H,1-2H3,(H,31,37)(H,32,33,34,35);3-15,34H,1-2H3,(H,31,32,33).
What are the key properties of N-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(7-methyl-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;7-methyl-N-[2-methyl-5-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
N-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(7-methyl-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;7-methyl-N-[2-methyl-5-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 1568.56 g/mol, XLogP of 19.07, 16 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(7-methyl-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;7-methyl-N-[2-methyl-5-[4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-2-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164999295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).