5-amino-1-(4,4-difluoro-1-methylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide

C76H80F12N18O6 — CID 160956879

IUPAC5-amino-1-(4,4-difluoro-1-methylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CN(C(C)C)CCC3(F)F)c(N)c2C(N)=O)cc1F.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CN(C)CCC3(F)F)c(N)c2C(N)=O)cc1F.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CNCCC3(F)F)c(N)c2C(N)=O)cc1F
InChIInChI=1S/C27H30F4N6O2.C25H26F4N6O2.C24H24F4N6O2/c1-14(2)36-9-8-27(30,31)21(13-36)37-24(32)22(25(33)38)23(35-37)16-5-6-17(20(29)10-16)12-34-26(39)19-11-18(28)7-4-15(19)3;1-13-3-6-16(26)10-17(13)24(37)32-11-15-5-4-14(9-18(15)27)21-20(23(31)36)22(30)35(33-21)19-12-34(2)8-7-25(19,28)29;1-12-2-5-15(25)9-16(12)23(36)32-10-14-4-3-13(8-17(14)26)20-19(22(30)35)21(29)34(33-20)18-11-31-7-6-24(18,27)28/h4-7,10-11,14,21H,8-9,12-13,32H2,1-3H3,(H2,33,38)(H,34,39);3-6,9-10,19H,7-8,11-12,30H2,1-2H3,(H2,31,36)(H,32,37);2-5,8-9,18,31H,6-7,10-11,29H2,1H3,(H2,30,35)(H,32,36)
InChIKeySWMSBNFXJVXGEP-UHFFFAOYSA-N
MW1569.57 g/mol
LogP10.22
Rot. Bonds19

About 5-amino-1-(4,4-difluoro-1-methylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide

5-amino-1-(4,4-difluoro-1-methylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide (PubChem CID 160956879) has the molecular formula C76H80F12N18O6 and a molecular weight of 1569.57 g/mol. Its IUPAC name is 5-amino-1-(4,4-difluoro-1-methylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4,4-difluoro-1-methylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
PubChem CID160956879
Molecular FormulaC76H80F12N18O6
Molecular Weight1569.57 g/mol
Exact Mass1568.63
IUPAC Name5-amino-1-(4,4-difluoro-1-methylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CN(C(C)C)CCC3(F)F)c(N)c2C(N)=O)cc1F.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CN(C)CCC3(F)F)c(N)c2C(N)=O)cc1F.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CNCCC3(F)F)c(N)c2C(N)=O)cc1F
InChIInChI=1S/C27H30F4N6O2.C25H26F4N6O2.C24H24F4N6O2/c1-14(2)36-9-8-27(30,31)21(13-36)37-24(32)22(25(33)38)23(35-37)16-5-6-17(20(29)10-16)12-34-26(39)19-11-18(28)7-4-15(19)3;1-13-3-6-16(26)10-17(13)24(37)32-11-15-5-4-14(9-18(15)27)21-20(23(31)36)22(30)35(33-21)19-12-34(2)8-7-25(19,28)29;1-12-2-5-15(25)9-16(12)23(36)32-10-14-4-3-13(8-17(14)26)20-19(22(30)35)21(29)34(33-20)18-11-31-7-6-24(18,27)28/h4-7,10-11,14,21H,8-9,12-13,32H2,1-3H3,(H2,33,38)(H,34,39);3-6,9-10,19H,7-8,11-12,30H2,1-2H3,(H2,31,36)(H,32,37);2-5,8-9,18,31H,6-7,10-11,29H2,1H3,(H2,30,35)(H,32,36)
InChIKeySWMSBNFXJVXGEP-UHFFFAOYSA-N
XLogP10.22
TPSA366.60 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001569.57
LogP ≤ 510.22
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

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

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Related Compounds

5-Amino-1-(3,3-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 145332636
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
5-Amino-1-(5,5-difluoropiperidin-3-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157601330
5-Amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(2,2-difluorocyclopentyl)-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-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 157615729

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4,4-difluoro-1-methylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4,4-difluoro-1-methylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide (CID 160956879) is 5-amino-1-(4,4-difluoro-1-methylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4,4-difluoro-1-methylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4,4-difluoro-1-methylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide is Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CN(C(C)C)CCC3(F)F)c(N)c2C(N)=O)cc1F.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CN(C)CCC3(F)F)c(N)c2C(N)=O)cc1F.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CNCCC3(F)F)c(N)c2C(N)=O)cc1F.
What is the InChIKey of 5-amino-1-(4,4-difluoro-1-methylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is SWMSBNFXJVXGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F4N6O2.C25H26F4N6O2.C24H24F4N6O2/c1-14(2)36-9-8-27(30,31)21(13-36)37-24(32)22(25(33)38)23(35-37)16-5-6-17(20(29)10-16)12-34-26(39)19-11-18(28)7-4-15(19)3;1-13-3-6-16(26)10-17(13)24(37)32-11-15-5-4-14(9-18(15)27)21-20(23(31)36)22(30)35(33-21)19-12-34(2)8-7-25(19,28)29;1-12-2-5-15(25)9-16(12)23(36)32-10-14-4-3-13(8-17(14)26)20-19(22(30)35)21(29)34(33-20)18-11-31-7-6-24(18,27)28/h4-7,10-11,14,21H,8-9,12-13,32H2,1-3H3,(H2,33,38)(H,34,39);3-6,9-10,19H,7-8,11-12,30H2,1-2H3,(H2,31,36)(H,32,37);2-5,8-9,18,31H,6-7,10-11,29H2,1H3,(H2,30,35)(H,32,36).
What are the key properties of 5-amino-1-(4,4-difluoro-1-methylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
5-amino-1-(4,4-difluoro-1-methylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 1569.57 g/mol, XLogP of 10.22, 19 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4,4-difluoro-1-methylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoropiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluoro-1-propan-2-ylpiperidin-3-yl)-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 160956879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).