5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide

C95H96F11N21O11 — CID 158057303

IUPAC5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(F)cc1C(=O)NCc1c(F)cc(-c2nn(C3CCCOC3)c(N)c2C(N)=O)cc1F.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C(N)=O)c(F)c1F.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C(N)=O)c(F)c1F.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CNCC3(F)F)c(N)c2C(N)=O)cc1F
InChIInChI=1S/2C24H24F3N5O3.C24H25F2N5O3.C23H23F3N6O2/c1-12-4-6-14(25)9-17(12)24(34)30-10-13-5-7-16(20(27)19(13)26)21-18(23(29)33)22(28)32(31-21)15-3-2-8-35-11-15;1-12-4-5-14(25)9-16(12)24(34)30-10-17-18(26)7-13(8-19(17)27)21-20(23(29)33)22(28)32(31-21)15-3-2-6-35-11-15;1-13-5-2-3-7-16(13)24(33)29-11-14-8-9-17(20(26)19(14)25)21-18(23(28)32)22(27)31(30-21)15-6-4-10-34-12-15;1-12-4-2-3-5-15(12)22(34)30-9-14-7-6-13(8-16(14)24)19-18(21(28)33)20(27)32(31-19)17-10-29-11-23(17,25)26/h4-7,9,15H,2-3,8,10-11,28H2,1H3,(H2,29,33)(H,30,34);4-5,7-9,15H,2-3,6,10-11,28H2,1H3,(H2,29,33)(H,30,34);2-3,5,7-9,15H,4,6,10-12,27H2,1H3,(H2,28,32)(H,29,33);2-8,17,29H,9-11,27H2,1H3,(H2,28,33)(H,30,34)
InChIKeyFKFGCJDJMWLAQM-UHFFFAOYSA-N
MW1916.93 g/mol
LogP11.96
Rot. Bonds24

About 5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide

5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide (PubChem CID 158057303) has the molecular formula C95H96F11N21O11 and a molecular weight of 1916.93 g/mol. Its IUPAC name is 5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
PubChem CID158057303
Molecular FormulaC95H96F11N21O11
Molecular Weight1916.93 g/mol
Exact Mass1915.74
IUPAC Name5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(F)cc1C(=O)NCc1c(F)cc(-c2nn(C3CCCOC3)c(N)c2C(N)=O)cc1F.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C(N)=O)c(F)c1F.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C(N)=O)c(F)c1F.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CNCC3(F)F)c(N)c2C(N)=O)cc1F
InChIInChI=1S/2C24H24F3N5O3.C24H25F2N5O3.C23H23F3N6O2/c1-12-4-6-14(25)9-17(12)24(34)30-10-13-5-7-16(20(27)19(13)26)21-18(23(29)33)22(28)32(31-21)15-3-2-8-35-11-15;1-12-4-5-14(25)9-16(12)24(34)30-10-17-18(26)7-13(8-19(17)27)21-20(23(29)33)22(28)32(31-21)15-3-2-6-35-11-15;1-13-5-2-3-7-16(13)24(33)29-11-14-8-9-17(20(26)19(14)25)21-18(23(28)32)22(27)31(30-21)15-6-4-10-34-12-15;1-12-4-2-3-5-15(12)22(34)30-9-14-7-6-13(8-16(14)24)19-18(21(28)33)20(27)32(31-19)17-10-29-11-23(17,25)26/h4-7,9,15H,2-3,8,10-11,28H2,1H3,(H2,29,33)(H,30,34);4-5,7-9,15H,2-3,6,10-11,28H2,1H3,(H2,29,33)(H,30,34);2-3,5,7-9,15H,4,6,10-12,27H2,1H3,(H2,28,32)(H,29,33);2-8,17,29H,9-11,27H2,1H3,(H2,28,33)(H,30,34)
InChIKeyFKFGCJDJMWLAQM-UHFFFAOYSA-N
XLogP11.96
TPSA503.84 Ų
H-Bond Donors13
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms138
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001916.93
LogP ≤ 511.96
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1024

Analyze 5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-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

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide (CID 158057303) is 5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide is Cc1ccc(F)cc1C(=O)NCc1c(F)cc(-c2nn(C3CCCOC3)c(N)c2C(N)=O)cc1F.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C(N)=O)c(F)c1F.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C(N)=O)c(F)c1F.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CNCC3(F)F)c(N)c2C(N)=O)cc1F.
What is the InChIKey of 5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is FKFGCJDJMWLAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H24F3N5O3.C24H25F2N5O3.C23H23F3N6O2/c1-12-4-6-14(25)9-17(12)24(34)30-10-13-5-7-16(20(27)19(13)26)21-18(23(29)33)22(28)32(31-21)15-3-2-8-35-11-15;1-12-4-5-14(25)9-16(12)24(34)30-10-17-18(26)7-13(8-19(17)27)21-20(23(29)33)22(28)32(31-21)15-3-2-6-35-11-15;1-13-5-2-3-7-16(13)24(33)29-11-14-8-9-17(20(26)19(14)25)21-18(23(28)32)22(27)31(30-21)15-6-4-10-34-12-15;1-12-4-2-3-5-15(12)22(34)30-9-14-7-6-13(8-16(14)24)19-18(21(28)33)20(27)32(31-19)17-10-29-11-23(17,25)26/h4-7,9,15H,2-3,8,10-11,28H2,1H3,(H2,29,33)(H,30,34);4-5,7-9,15H,2-3,6,10-11,28H2,1H3,(H2,29,33)(H,30,34);2-3,5,7-9,15H,4,6,10-12,27H2,1H3,(H2,28,32)(H,29,33);2-8,17,29H,9-11,27H2,1H3,(H2,28,33)(H,30,34).
What are the key properties of 5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 1916.93 g/mol, XLogP of 11.96, 24 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[3,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2,3-difluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 158057303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).