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

C79H86F10N18O7 — CID 162075805

IUPAC5-amino-1-[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-3-yl]-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(1-ethyl-3,3-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
SMILESCCN1CCC(n2nc(-c3ccc(CNC(=O)c4cc(F)ccc4C)cc3)c(C(N)=O)c2N)C(F)(F)C1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCN(C(C)C)CC3(F)F)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CN(C4COC4)CC3(F)F)c(N)c2C(N)=O)cc1F
InChIInChI=1S/C27H31F3N6O2.C26H26F4N6O3.C26H29F3N6O2/c1-15(2)35-11-10-21(27(29,30)14-35)36-24(31)22(25(32)37)23(34-36)18-7-5-17(6-8-18)13-33-26(38)20-12-19(28)9-4-16(20)3;1-13-2-5-16(27)7-18(13)25(38)33-8-15-4-3-14(6-19(15)28)22-21(24(32)37)23(31)36(34-22)20-9-35(12-26(20,29)30)17-10-39-11-17;1-3-34-11-10-20(26(28,29)14-34)35-23(30)21(24(31)36)22(33-35)17-7-5-16(6-8-17)13-32-25(37)19-12-18(27)9-4-15(19)2/h4-9,12,15,21H,10-11,13-14,31H2,1-3H3,(H2,32,37)(H,33,38);2-7,17,20H,8-12,31H2,1H3,(H2,32,37)(H,33,38);4-9,12,20H,3,10-11,13-14,30H2,1-2H3,(H2,31,36)(H,32,37)
InChIKeyZBROKGBNHKMLSM-UHFFFAOYSA-N
MW1589.66 g/mol
LogP10.05
Rot. Bonds21

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

5-amino-1-[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-3-yl]-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(1-ethyl-3,3-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide (PubChem CID 162075805) has the molecular formula C79H86F10N18O7 and a molecular weight of 1589.66 g/mol. Its IUPAC name is 5-amino-1-[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-3-yl]-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(1-ethyl-3,3-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-3-yl]-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(1-ethyl-3,3-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
PubChem CID162075805
Molecular FormulaC79H86F10N18O7
Molecular Weight1589.66 g/mol
Exact Mass1588.68
IUPAC Name5-amino-1-[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-3-yl]-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(1-ethyl-3,3-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
SMILESCCN1CCC(n2nc(-c3ccc(CNC(=O)c4cc(F)ccc4C)cc3)c(C(N)=O)c2N)C(F)(F)C1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCN(C(C)C)CC3(F)F)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CN(C4COC4)CC3(F)F)c(N)c2C(N)=O)cc1F
InChIInChI=1S/C27H31F3N6O2.C26H26F4N6O3.C26H29F3N6O2/c1-15(2)35-11-10-21(27(29,30)14-35)36-24(31)22(25(32)37)23(34-36)18-7-5-17(6-8-18)13-33-26(38)20-12-19(28)9-4-16(20)3;1-13-2-5-16(27)7-18(13)25(38)33-8-15-4-3-14(6-19(15)28)22-21(24(32)37)23(31)36(34-22)20-9-35(12-26(20,29)30)17-10-39-11-17;1-3-34-11-10-20(26(28,29)14-34)35-23(30)21(24(31)36)22(33-35)17-7-5-16(6-8-17)13-32-25(37)19-12-18(27)9-4-15(19)2/h4-9,12,15,21H,10-11,13-14,31H2,1-3H3,(H2,32,37)(H,33,38);2-7,17,20H,8-12,31H2,1H3,(H2,32,37)(H,33,38);4-9,12,20H,3,10-11,13-14,30H2,1-2H3,(H2,31,36)(H,32,37)
InChIKeyZBROKGBNHKMLSM-UHFFFAOYSA-N
XLogP10.05
TPSA367.04 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001589.66
LogP ≤ 510.05
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

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

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Related Compounds

5-amino-1-(1-ethyl-4,4-difluoropyrrolidin-3-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 158878614
5-amino-1-[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-3-yl]-3-[3-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethane
CID 145332712
5-amino-1-(1-ethyl-3,3-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129269657
5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide
CID 157405663
5-amino-1-cyclopentyl-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxolan-3-yl)pyrazole-4-carboxamide;5-chloro-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157084318
5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 161467433
5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 161120119
5-amino-1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 163207901
5-amino-3-[3-fluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 129248228
5-amino-1-[(3S)-1-[(1R,2S)-2-fluorocyclopropanecarbonyl]pyrrolidin-3-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 163207924
5-amino-1-[1-[1-(azetidin-3-ylmethyl)piperidin-4-yl]piperidin-4-yl]-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 162719649
5-amino-1-(5,5-difluorocyclopent-2-en-1-yl)-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129269815

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-3-yl]-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(1-ethyl-3,3-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-3-yl]-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(1-ethyl-3,3-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide (CID 162075805) is 5-amino-1-[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-3-yl]-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(1-ethyl-3,3-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-3-yl]-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(1-ethyl-3,3-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-3-yl]-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(1-ethyl-3,3-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide is CCN1CCC(n2nc(-c3ccc(CNC(=O)c4cc(F)ccc4C)cc3)c(C(N)=O)c2N)C(F)(F)C1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCN(C(C)C)CC3(F)F)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CN(C4COC4)CC3(F)F)c(N)c2C(N)=O)cc1F.
What is the InChIKey of 5-amino-1-[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-3-yl]-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(1-ethyl-3,3-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is ZBROKGBNHKMLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N6O2.C26H26F4N6O3.C26H29F3N6O2/c1-15(2)35-11-10-21(27(29,30)14-35)36-24(31)22(25(32)37)23(34-36)18-7-5-17(6-8-18)13-33-26(38)20-12-19(28)9-4-16(20)3;1-13-2-5-16(27)7-18(13)25(38)33-8-15-4-3-14(6-19(15)28)22-21(24(32)37)23(31)36(34-22)20-9-35(12-26(20,29)30)17-10-39-11-17;1-3-34-11-10-20(26(28,29)14-34)35-23(30)21(24(31)36)22(33-35)17-7-5-16(6-8-17)13-32-25(37)19-12-18(27)9-4-15(19)2/h4-9,12,15,21H,10-11,13-14,31H2,1-3H3,(H2,32,37)(H,33,38);2-7,17,20H,8-12,31H2,1H3,(H2,32,37)(H,33,38);4-9,12,20H,3,10-11,13-14,30H2,1-2H3,(H2,31,36)(H,32,37).
What are the key properties of 5-amino-1-[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-3-yl]-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(1-ethyl-3,3-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
5-amino-1-[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-3-yl]-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(1-ethyl-3,3-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 1589.66 g/mol, XLogP of 10.05, 21 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-3-yl]-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(1-ethyl-3,3-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 162075805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).