N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-[(dimethylamino)methyl]benzamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-2-carboxamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-(trifluoromethyl)benzamide

C74H56F9N23O6 — CID 159700578

IUPACN-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-[(dimethylamino)methyl]benzamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-2-carboxamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
SMILESCN(C)Cc1ccc(C(=O)Nc2cnc(-c3cc(-c4ccon4)n(Cc4cccc(F)c4F)n3)nc2N)cc1.Nc1nc(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)ncc1NC(=O)c1ccc(C(F)(F)F)cc1.Nc1nc(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)ncc1NC(=O)c1ccc[nH]1
InChIInChI=1S/C27H24F2N8O2.C25H16F5N7O2.C22H16F2N8O2/c1-36(2)14-16-6-8-17(9-7-16)27(38)32-22-13-31-26(33-25(22)30)21-12-23(20-10-11-39-35-20)37(34-21)15-18-4-3-5-19(28)24(18)29;26-16-3-1-2-14(21(16)27)12-37-20(17-8-9-39-36-17)10-18(35-37)23-32-11-19(22(31)34-23)33-24(38)13-4-6-15(7-5-13)25(28,29)30;23-13-4-1-3-12(19(13)24)11-32-18(14-6-8-34-31-14)9-16(30-32)21-27-10-17(20(25)29-21)28-22(33)15-5-2-7-26-15/h3-13H,14-15H2,1-2H3,(H,32,38)(H2,30,31,33);1-11H,12H2,(H,33,38)(H2,31,32,34);1-10,26H,11H2,(H,28,33)(H2,25,27,29)
InChIKeyMXOKSWNQCIJQED-UHFFFAOYSA-N
MW1534.40 g/mol
LogP12.88
Rot. Bonds20

About N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-[(dimethylamino)methyl]benzamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-2-carboxamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-(trifluoromethyl)benzamide

N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-[(dimethylamino)methyl]benzamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-2-carboxamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-(trifluoromethyl)benzamide (PubChem CID 159700578) has the molecular formula C74H56F9N23O6 and a molecular weight of 1534.40 g/mol. Its IUPAC name is N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-[(dimethylamino)methyl]benzamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-2-carboxamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-[(dimethylamino)methyl]benzamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-2-carboxamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
PubChem CID159700578
Molecular FormulaC74H56F9N23O6
Molecular Weight1534.40 g/mol
Exact Mass1533.46
IUPAC NameN-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-[(dimethylamino)methyl]benzamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-2-carboxamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
SMILESCN(C)Cc1ccc(C(=O)Nc2cnc(-c3cc(-c4ccon4)n(Cc4cccc(F)c4F)n3)nc2N)cc1.Nc1nc(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)ncc1NC(=O)c1ccc(C(F)(F)F)cc1.Nc1nc(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)ncc1NC(=O)c1ccc[nH]1
InChIInChI=1S/C27H24F2N8O2.C25H16F5N7O2.C22H16F2N8O2/c1-36(2)14-16-6-8-17(9-7-16)27(38)32-22-13-31-26(33-25(22)30)21-12-23(20-10-11-39-35-20)37(34-21)15-18-4-3-5-19(28)24(18)29;26-16-3-1-2-14(21(16)27)12-37-20(17-8-9-39-36-17)10-18(35-37)23-32-11-19(22(31)34-23)33-24(38)13-4-6-15(7-5-13)25(28,29)30;23-13-4-1-3-12(19(13)24)11-32-18(14-6-8-34-31-14)9-16(30-32)21-27-10-17(20(25)29-21)28-22(33)15-5-2-7-26-15/h3-13H,14-15H2,1-2H3,(H,32,38)(H2,30,31,33);1-11H,12H2,(H,33,38)(H2,31,32,34);1-10,26H,11H2,(H,28,33)(H2,25,27,29)
InChIKeyMXOKSWNQCIJQED-UHFFFAOYSA-N
XLogP12.88
TPSA393.28 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001534.40
LogP ≤ 512.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Analyze N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-[(dimethylamino)methyl]benzamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-2-carboxamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
CID 90445903
N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]pyrimidine-4-carboxamide
CID 90446502
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]pyridine-2-carboxamide
CID 68111968
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-fluorobenzamide
CID 68111970
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-3-fluorobenzamide
CID 68111971
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-methylbenzamide
CID 68111973
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 68111976
(2S)-N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]pyrrolidine-2-carboxamide
CID 68111985
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 68111999
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]pyridine-4-carboxamide
CID 68642260
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1,2-oxazole-3-carboxamide
CID 68642350
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-2-fluorobenzamide
CID 68642351

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-[(dimethylamino)methyl]benzamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-2-carboxamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-[(dimethylamino)methyl]benzamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-2-carboxamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-(trifluoromethyl)benzamide (CID 159700578) is N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-[(dimethylamino)methyl]benzamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-2-carboxamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-[(dimethylamino)methyl]benzamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-2-carboxamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-[(dimethylamino)methyl]benzamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-2-carboxamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-(trifluoromethyl)benzamide is CN(C)Cc1ccc(C(=O)Nc2cnc(-c3cc(-c4ccon4)n(Cc4cccc(F)c4F)n3)nc2N)cc1.Nc1nc(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)ncc1NC(=O)c1ccc(C(F)(F)F)cc1.Nc1nc(-c2cc(-c3ccon3)n(Cc3cccc(F)c3F)n2)ncc1NC(=O)c1ccc[nH]1.
What is the InChIKey of N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-[(dimethylamino)methyl]benzamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-2-carboxamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is MXOKSWNQCIJQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N8O2.C25H16F5N7O2.C22H16F2N8O2/c1-36(2)14-16-6-8-17(9-7-16)27(38)32-22-13-31-26(33-25(22)30)21-12-23(20-10-11-39-35-20)37(34-21)15-18-4-3-5-19(28)24(18)29;26-16-3-1-2-14(21(16)27)12-37-20(17-8-9-39-36-17)10-18(35-37)23-32-11-19(22(31)34-23)33-24(38)13-4-6-15(7-5-13)25(28,29)30;23-13-4-1-3-12(19(13)24)11-32-18(14-6-8-34-31-14)9-16(30-32)21-27-10-17(20(25)29-21)28-22(33)15-5-2-7-26-15/h3-13H,14-15H2,1-2H3,(H,32,38)(H2,30,31,33);1-11H,12H2,(H,33,38)(H2,31,32,34);1-10,26H,11H2,(H,28,33)(H2,25,27,29).
What are the key properties of N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-[(dimethylamino)methyl]benzamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-2-carboxamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-(trifluoromethyl)benzamide?
N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-[(dimethylamino)methyl]benzamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-2-carboxamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 1534.40 g/mol, XLogP of 12.88, 20 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-[(dimethylamino)methyl]benzamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-2-carboxamide;N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 159700578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).