5-amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-dimethylbutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

C75H86F5N17O6 — CID 158501005

IUPAC5-amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-dimethylbutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)C(C)(C)C)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)N3CCCC3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCN(C)CC3(F)F)c(N)c2C(N)=O)cc1
InChIInChI=1S/C25H27F3N6O2.C25H29FN6O2.C25H30FN5O2/c1-14-3-8-17(26)11-18(14)24(36)31-12-15-4-6-16(7-5-15)21-20(23(30)35)22(29)34(32-21)19-9-10-33(2)13-25(19,27)28;1-15-5-10-19(26)13-20(15)25(34)29-14-17-6-8-18(9-7-17)22-21(24(28)33)23(27)32(30-22)16(2)31-11-3-4-12-31;1-14-6-11-18(26)12-19(14)24(33)29-13-16-7-9-17(10-8-16)21-20(23(28)32)22(27)31(30-21)15(2)25(3,4)5/h3-8,11,19H,9-10,12-13,29H2,1-2H3,(H2,30,35)(H,31,36);5-10,13,16H,3-4,11-12,14,27H2,1-2H3,(H2,28,33)(H,29,34);6-12,15H,13,27H2,1-5H3,(H2,28,32)(H,29,33)
InChIKeyHJWVJFYNZUIAHD-UHFFFAOYSA-N
MW1416.62 g/mol
LogP10.56
Rot. Bonds19

About 5-amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-dimethylbutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

5-amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-dimethylbutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (PubChem CID 158501005) has the molecular formula C75H86F5N17O6 and a molecular weight of 1416.62 g/mol. Its IUPAC name is 5-amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-dimethylbutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-dimethylbutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
PubChem CID158501005
Molecular FormulaC75H86F5N17O6
Molecular Weight1416.62 g/mol
Exact Mass1415.69
IUPAC Name5-amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-dimethylbutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)C(C)(C)C)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)N3CCCC3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCN(C)CC3(F)F)c(N)c2C(N)=O)cc1
InChIInChI=1S/C25H27F3N6O2.C25H29FN6O2.C25H30FN5O2/c1-14-3-8-17(26)11-18(14)24(36)31-12-15-4-6-16(7-5-15)21-20(23(30)35)22(29)34(32-21)19-9-10-33(2)13-25(19,27)28;1-15-5-10-19(26)13-20(15)25(34)29-14-17-6-8-18(9-7-17)22-21(24(28)33)23(27)32(30-22)16(2)31-11-3-4-12-31;1-14-6-11-18(26)12-19(14)24(33)29-13-16-7-9-17(10-8-16)21-20(23(28)32)22(27)31(30-21)15(2)25(3,4)5/h3-8,11,19H,9-10,12-13,29H2,1-2H3,(H2,30,35)(H,31,36);5-10,13,16H,3-4,11-12,14,27H2,1-2H3,(H2,28,33)(H,29,34);6-12,15H,13,27H2,1-5H3,(H2,28,32)(H,29,33)
InChIKeyHJWVJFYNZUIAHD-UHFFFAOYSA-N
XLogP10.56
TPSA354.57 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001416.62
LogP ≤ 510.56
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze 5-amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-dimethylbutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide with MolForge

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Related Compounds

1-[[3-fluoro-4-(trifluoromethyl)phenyl]-[2-[[1-[[3-fluoro-4-(trifluoromethyl)phenyl]-[1-methyl-2-[[4-oxo-3-(2,2,2-trifluoroethyl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]cyclopropyl]methyl]-4-oxo-3-(2,2,2-trifluoroethyl)-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]-1-methylcyclopropyl]methyl]-6-methyl-3-(2,2,2-trifluoroethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 145199285
5-Amino-1-(3,3-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 145332636
[5-[[4-(Aminomethyl)phenyl]methylamino]-4-methyl-3-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)piperidin-4-yl]pyrazol-1-yl]-(2-fluorophenyl)methanone;[5-[[4-(aminomethyl)phenyl]methyl-methylamino]-3-[1-methylsulfonyl-2-(trifluoromethyl)pyrrolidin-3-yl]pyrazol-1-yl]-(2-fluorophenyl)methanone
CID 146461076
5-Amino-1-(4,4-difluoropyrrolidin-3-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 147971049
5-Amino-1-(1-cyclopentylethyl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide
CID 157267071
5-Amino-1-(1-cyclohexylethyl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(1,1-difluoro-4-hydroxybutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-dimethylbutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157443243
5-Amino-1-(2,2-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(5,5-difluoropiperidin-3-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(5,5-difluoropyrrolidin-3-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157580510
5-Amino-1-(5,5-difluoropyrrolidin-3-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157580511
5-Amino-1-(2,2-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157580512
5-Amino-1-(5,5-difluoropiperidin-3-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157580513
5-Amino-1-(2,2-difluorooxan-4-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(5,5-difluorooxan-3-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(2,2-difluoropiperidin-4-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(5,5-difluoropiperidin-3-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157601326
5-Amino-1-(2,2-difluoropiperidin-4-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157601329

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-dimethylbutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-dimethylbutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (CID 158501005) is 5-amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-dimethylbutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-dimethylbutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-dimethylbutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)C(C)(C)C)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)N3CCCC3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCN(C)CC3(F)F)c(N)c2C(N)=O)cc1.
What is the InChIKey of 5-amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-dimethylbutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The InChIKey is HJWVJFYNZUIAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O2.C25H29FN6O2.C25H30FN5O2/c1-14-3-8-17(26)11-18(14)24(36)31-12-15-4-6-16(7-5-15)21-20(23(30)35)22(29)34(32-21)19-9-10-33(2)13-25(19,27)28;1-15-5-10-19(26)13-20(15)25(34)29-14-17-6-8-18(9-7-17)22-21(24(28)33)23(27)32(30-22)16(2)31-11-3-4-12-31;1-14-6-11-18(26)12-19(14)24(33)29-13-16-7-9-17(10-8-16)21-20(23(28)32)22(27)31(30-21)15(2)25(3,4)5/h3-8,11,19H,9-10,12-13,29H2,1-2H3,(H2,30,35)(H,31,36);5-10,13,16H,3-4,11-12,14,27H2,1-2H3,(H2,28,33)(H,29,34);6-12,15H,13,27H2,1-5H3,(H2,28,32)(H,29,33).
What are the key properties of 5-amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-dimethylbutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
5-amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-dimethylbutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide has a molecular weight of 1416.62 g/mol, XLogP of 10.56, 19 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-dimethylbutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 158501005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).