N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-[2-(3,4-difluorophenyl)acetyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3,4-difluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-5-N-(4-fluoro-3-methylphenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3,5-dicarboxamide

C113H111F28N29O12 — CID 161438404

IUPACN-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-[2-(3,4-difluorophenyl)acetyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3,4-difluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-5-N-(4-fluoro-3-methylphenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESC[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccnc(C(F)F)c1)CC2)C(F)(F)F.C[C@@H]1CN(C(=O)Nc2ccc(F)c(F)c2)Cc2c(C(=O)C[C@H](C)C(F)(F)F)nnn21.C[C@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(F)c1)[C@@H](C)C2)C(F)(F)F.C[C@H]1Cn2ncc(C(=O)Cc3ccc(F)c(F)c3)c2CN1C(=O)Nc1ccc(F)c(F)c1.C[C@H]1Cn2nnc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1.Cc1cc(NC(=O)N2Cc3c(C(=O)N[C@H](C)C(F)(F)F)nnn3C[C@@H]2C)ccc1F
InChIInChI=1S/C22H18F4N4O2.C19H19F5N4O2.3C18H18F5N5O2.C18H20F4N6O2/c1-12-10-30-20(11-29(12)22(32)28-14-3-5-17(24)19(26)8-14)15(9-27-30)21(31)7-13-2-4-16(23)18(25)6-13;1-10(19(22,23)24)5-16(29)17-15-8-28(11(2)7-27(15)9-25-17)18(30)26-12-3-4-13(20)14(21)6-12;1-9(18(21,22)23)5-15(29)16-14-8-27(10(2)7-28(14)26-25-16)17(30)24-11-3-4-12(19)13(20)6-11;1-9(18(21,22)23)5-15(29)16-14-8-27(7-10(2)28(14)26-25-16)17(30)24-11-3-4-12(19)13(20)6-11;1-10(18(21,22)23)6-14(29)15-13-8-27(4-5-28(13)9-25-15)17(30)26-11-2-3-24-12(7-11)16(19)20;1-9-6-12(4-5-13(9)19)24-17(30)27-8-14-15(25-26-28(14)7-10(27)2)16(29)23-11(3)18(20,21)22/h2-6,8-9,12H,7,10-11H2,1H3,(H,28,32);3-4,6,9-11H,5,7-8H2,1-2H3,(H,26,30);2*3-4,6,9-10H,5,7-8H2,1-2H3,(H,24,30);2-3,7,9-10,16H,4-6,8H2,1H3,(H,24,26,30);4-6,10-11H,7-8H2,1-3H3,(H,23,29)(H,24,30)/t12-;10-,11+;9-,10-;9-,10+;10-;10-,11+/m010000/s1
InChIKeyVYYGXUXFKPAUOR-PXJIUEPJSA-N
MW2599.27 g/mol
LogP23.25
Rot. Bonds24

About N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-[2-(3,4-difluorophenyl)acetyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3,4-difluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-5-N-(4-fluoro-3-methylphenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3,5-dicarboxamide

N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-[2-(3,4-difluorophenyl)acetyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3,4-difluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-5-N-(4-fluoro-3-methylphenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 161438404) has the molecular formula C113H111F28N29O12 and a molecular weight of 2599.27 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-[2-(3,4-difluorophenyl)acetyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3,4-difluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-5-N-(4-fluoro-3-methylphenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-[2-(3,4-difluorophenyl)acetyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3,4-difluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-5-N-(4-fluoro-3-methylphenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID161438404
Molecular FormulaC113H111F28N29O12
Molecular Weight2599.27 g/mol
Exact Mass2597.85
IUPAC NameN-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-[2-(3,4-difluorophenyl)acetyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3,4-difluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-5-N-(4-fluoro-3-methylphenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESC[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccnc(C(F)F)c1)CC2)C(F)(F)F.C[C@@H]1CN(C(=O)Nc2ccc(F)c(F)c2)Cc2c(C(=O)C[C@H](C)C(F)(F)F)nnn21.C[C@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(F)c1)[C@@H](C)C2)C(F)(F)F.C[C@H]1Cn2ncc(C(=O)Cc3ccc(F)c(F)c3)c2CN1C(=O)Nc1ccc(F)c(F)c1.C[C@H]1Cn2nnc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1.Cc1cc(NC(=O)N2Cc3c(C(=O)N[C@H](C)C(F)(F)F)nnn3C[C@@H]2C)ccc1F
InChIInChI=1S/C22H18F4N4O2.C19H19F5N4O2.3C18H18F5N5O2.C18H20F4N6O2/c1-12-10-30-20(11-29(12)22(32)28-14-3-5-17(24)19(26)8-14)15(9-27-30)21(31)7-13-2-4-16(23)18(25)6-13;1-10(19(22,23)24)5-16(29)17-15-8-28(11(2)7-27(15)9-25-17)18(30)26-12-3-4-13(20)14(21)6-12;1-9(18(21,22)23)5-15(29)16-14-8-27(10(2)7-28(14)26-25-16)17(30)24-11-3-4-12(19)13(20)6-11;1-9(18(21,22)23)5-15(29)16-14-8-27(7-10(2)28(14)26-25-16)17(30)24-11-3-4-12(19)13(20)6-11;1-10(18(21,22)23)6-14(29)15-13-8-27(4-5-28(13)9-25-15)17(30)26-11-2-3-24-12(7-11)16(19)20;1-9-6-12(4-5-13(9)19)24-17(30)27-8-14-15(25-26-28(14)7-10(27)2)16(29)23-11(3)18(20,21)22/h2-6,8-9,12H,7,10-11H2,1H3,(H,28,32);3-4,6,9-11H,5,7-8H2,1-2H3,(H,26,30);2*3-4,6,9-10H,5,7-8H2,1-2H3,(H,24,30);2-3,7,9-10,16H,4-6,8H2,1H3,(H,24,26,30);4-6,10-11H,7-8H2,1-3H3,(H,23,29)(H,24,30)/t12-;10-,11+;9-,10-;9-,10+;10-;10-,11+/m010000/s1
InChIKeyVYYGXUXFKPAUOR-PXJIUEPJSA-N
XLogP23.25
TPSA466.97 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002599.27
LogP ≤ 523.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Analyze N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-[2-(3,4-difluorophenyl)acetyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3,4-difluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-5-N-(4-fluoro-3-methylphenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3,5-dicarboxamide with MolForge

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Related Compounds

N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 168079772
(2S,4R)-1-(2-(3-acetyl-5-(pyrimidin-5-ylamino)-1H-indol-1-yl)acetyl)-4-fluoro-N-(1-(1-methyl-1H-pyrazol-4-yl)piperidin-3-yl)pyrrolidine-2-carboxamide
CID 118322511
PROTAC BTK Degrader-9
CID 171037439
6-(2,6-dioxopiperidin-3-yl)-3-methylpyrrolo[3,4-b]pyrazine-5,7-dione;6-(2,6-dioxopiperidin-3-yl)-3-methylpyrrolo[3,4-b]pyridine-5,7-dione;3-(4-fluoro-3-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione;3-(3-methyl-7-oxo-5H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione;3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;3-(3-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;3-(2-methyl-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-6-yl)piperidine-2,6-dione
CID 167676231
4-[[1-[1-[1-[5-[3-[4-[4-[5-(2-Amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171629543
US20240368194, Example 41
CID 172494676
US20240368194, Example 49
CID 172879076
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-fluoro-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 90758816
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-fluoro-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-isocyano-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 90773520
3-[(4-acetylbenzoyl)amino]-2-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-3-[[4-(2H-tetrazol-5-yl)benzoyl]amino]pyrazolo[4,5-d]pyrimidine-7-carboxamide
CID 91231290
3-[(4-acetylbenzoyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(cyclopenta-1,4-diene-1-carbonylamino)-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide
CID 91378925
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-fluoro-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-isocyano-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91467421

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-[2-(3,4-difluorophenyl)acetyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3,4-difluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-5-N-(4-fluoro-3-methylphenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-[2-(3,4-difluorophenyl)acetyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3,4-difluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-5-N-(4-fluoro-3-methylphenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 161438404) is N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-[2-(3,4-difluorophenyl)acetyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3,4-difluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-5-N-(4-fluoro-3-methylphenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-[2-(3,4-difluorophenyl)acetyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3,4-difluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-5-N-(4-fluoro-3-methylphenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-[2-(3,4-difluorophenyl)acetyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3,4-difluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-5-N-(4-fluoro-3-methylphenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3,5-dicarboxamide is C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccnc(C(F)F)c1)CC2)C(F)(F)F.C[C@@H]1CN(C(=O)Nc2ccc(F)c(F)c2)Cc2c(C(=O)C[C@H](C)C(F)(F)F)nnn21.C[C@H](CC(=O)c1ncn2c1CN(C(=O)Nc1ccc(F)c(F)c1)[C@@H](C)C2)C(F)(F)F.C[C@H]1Cn2ncc(C(=O)Cc3ccc(F)c(F)c3)c2CN1C(=O)Nc1ccc(F)c(F)c1.C[C@H]1Cn2nnc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(F)c1.Cc1cc(NC(=O)N2Cc3c(C(=O)N[C@H](C)C(F)(F)F)nnn3C[C@@H]2C)ccc1F.
What is the InChIKey of N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-[2-(3,4-difluorophenyl)acetyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3,4-difluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-5-N-(4-fluoro-3-methylphenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is VYYGXUXFKPAUOR-PXJIUEPJSA-N. The full InChI is InChI=1S/C22H18F4N4O2.C19H19F5N4O2.3C18H18F5N5O2.C18H20F4N6O2/c1-12-10-30-20(11-29(12)22(32)28-14-3-5-17(24)19(26)8-14)15(9-27-30)21(31)7-13-2-4-16(23)18(25)6-13;1-10(19(22,23)24)5-16(29)17-15-8-28(11(2)7-27(15)9-25-17)18(30)26-12-3-4-13(20)14(21)6-12;1-9(18(21,22)23)5-15(29)16-14-8-27(10(2)7-28(14)26-25-16)17(30)24-11-3-4-12(19)13(20)6-11;1-9(18(21,22)23)5-15(29)16-14-8-27(7-10(2)28(14)26-25-16)17(30)24-11-3-4-12(19)13(20)6-11;1-10(18(21,22)23)6-14(29)15-13-8-27(4-5-28(13)9-25-15)17(30)26-11-2-3-24-12(7-11)16(19)20;1-9-6-12(4-5-13(9)19)24-17(30)27-8-14-15(25-26-28(14)7-10(27)2)16(29)23-11(3)18(20,21)22/h2-6,8-9,12H,7,10-11H2,1H3,(H,28,32);3-4,6,9-11H,5,7-8H2,1-2H3,(H,26,30);2*3-4,6,9-10H,5,7-8H2,1-2H3,(H,24,30);2-3,7,9-10,16H,4-6,8H2,1H3,(H,24,26,30);4-6,10-11H,7-8H2,1-3H3,(H,23,29)(H,24,30)/t12-;10-,11+;9-,10-;9-,10+;10-;10-,11+/m010000/s1.
What are the key properties of N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-[2-(3,4-difluorophenyl)acetyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3,4-difluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-5-N-(4-fluoro-3-methylphenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3,5-dicarboxamide?
N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-[2-(3,4-difluorophenyl)acetyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3,4-difluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-5-N-(4-fluoro-3-methylphenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 2599.27 g/mol, XLogP of 23.25, 24 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-[2-(3,4-difluorophenyl)acetyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3,4-difluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-5-N-(4-fluoro-3-methylphenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 161438404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).