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

C111H110F26N26O14 — CID 159722916

IUPAC(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[2-[(3R)-oxolan-3-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;N-(3,4-difluorophenyl)-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;N-(2,6-difluoro-4-pyridinyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[2-(3-methyloxolan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCC1(CC(=O)c2ncn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)CC3)CCOC1.C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)nc(F)c1)CC2)C(F)(F)F.C[C@@H](CC(=O)c1nnn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F.C[C@@H](NC(=O)c1ccn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F.C[C@H]1Cn2ncc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(C(=O)C[C@H]3CCOC3)c2CN1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H21F3N4O3.C20H22F2N4O3.C19H18F6N4O2.C18H17F5N4O2.2C17H16F5N5O2/c1-20(2-5-30-10-20)8-16(28)18-15-9-26(3-4-27(15)11-24-18)19(29)25-12-6-13(21)17(23)14(22)7-12;1-12-9-26-18(15(8-23-26)19(27)6-13-4-5-29-11-13)10-25(12)20(28)24-14-2-3-16(21)17(22)7-14;1-9(19(23,24)25)3-16(30)12-6-26-29-7-10(2)28(8-15(12)29)18(31)27-11-4-13(20)17(22)14(21)5-11;1-10(18(21,22)23)24-16(28)12-4-5-26-6-7-27(9-15(12)26)17(29)25-11-2-3-13(19)14(20)8-11;1-9(17(20,21)22)4-12(28)15-11-7-26(2-3-27(11)8-23-15)16(29)24-10-5-13(18)25-14(19)6-10;1-9(17(20,21)22)6-14(28)15-13-8-26(4-5-27(13)25-24-15)16(29)23-10-2-3-11(18)12(19)7-10/h6-7,11H,2-5,8-10H2,1H3,(H,25,29);2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,24,28);4-6,9-10H,3,7-8H2,1-2H3,(H,27,31);2-5,8,10H,6-7,9H2,1H3,(H,24,28)(H,25,29);5-6,8-9H,2-4,7H2,1H3,(H,24,25,29);2-3,7,9H,4-6,8H2,1H3,(H,23,29)/t;12-,13+;9-,10-;10-;2*9-/m.00100/s1
InChIKeyNAGNGAFFALORNW-YGJFNDNTSA-N
MW2526.22 g/mol
LogP21.31
Rot. Bonds23

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

(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[2-[(3R)-oxolan-3-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;N-(3,4-difluorophenyl)-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;N-(2,6-difluoro-4-pyridinyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[2-(3-methyloxolan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 159722916) has the molecular formula C111H110F26N26O14 and a molecular weight of 2526.22 g/mol. Its IUPAC name is (6S)-N-(3,4-difluorophenyl)-6-methyl-3-[2-[(3R)-oxolan-3-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;N-(3,4-difluorophenyl)-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;N-(2,6-difluoro-4-pyridinyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[2-(3-methyloxolan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[2-[(3R)-oxolan-3-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;N-(3,4-difluorophenyl)-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;N-(2,6-difluoro-4-pyridinyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[2-(3-methyloxolan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID159722916
Molecular FormulaC111H110F26N26O14
Molecular Weight2526.22 g/mol
Exact Mass2524.83
IUPAC Name(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[2-[(3R)-oxolan-3-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;N-(3,4-difluorophenyl)-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;N-(2,6-difluoro-4-pyridinyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[2-(3-methyloxolan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCC1(CC(=O)c2ncn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)CC3)CCOC1.C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)nc(F)c1)CC2)C(F)(F)F.C[C@@H](CC(=O)c1nnn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F.C[C@@H](NC(=O)c1ccn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F.C[C@H]1Cn2ncc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(C(=O)C[C@H]3CCOC3)c2CN1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H21F3N4O3.C20H22F2N4O3.C19H18F6N4O2.C18H17F5N4O2.2C17H16F5N5O2/c1-20(2-5-30-10-20)8-16(28)18-15-9-26(3-4-27(15)11-24-18)19(29)25-12-6-13(21)17(23)14(22)7-12;1-12-9-26-18(15(8-23-26)19(27)6-13-4-5-29-11-13)10-25(12)20(28)24-14-2-3-16(21)17(22)7-14;1-9(19(23,24)25)3-16(30)12-6-26-29-7-10(2)28(8-15(12)29)18(31)27-11-4-13(20)17(22)14(21)5-11;1-10(18(21,22)23)24-16(28)12-4-5-26-6-7-27(9-15(12)26)17(29)25-11-2-3-13(19)14(20)8-11;1-9(17(20,21)22)4-12(28)15-11-7-26(2-3-27(11)8-23-15)16(29)24-10-5-13(18)25-14(19)6-10;1-9(17(20,21)22)6-14(28)15-13-8-26(4-5-27(13)25-24-15)16(29)23-10-2-3-11(18)12(19)7-10/h6-7,11H,2-5,8-10H2,1H3,(H,25,29);2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,24,28);4-6,9-10H,3,7-8H2,1-2H3,(H,27,31);2-5,8,10H,6-7,9H2,1H3,(H,24,28)(H,25,29);5-6,8-9H,2-4,7H2,1H3,(H,24,25,29);2-3,7,9H,4-6,8H2,1H3,(H,23,29)/t;12-,13+;9-,10-;10-;2*9-/m.00100/s1
InChIKeyNAGNGAFFALORNW-YGJFNDNTSA-N
XLogP21.31
TPSA446.76 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002526.22
LogP ≤ 521.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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

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Related Compounds

1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone;methyl (3R,4R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperidine-4-carboxylate
CID 157063737
1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone
CID 157135017
tert-butyl 4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(oxetan-3-yl)piperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-ethyl-3,3-dimethylpiperazin-2-one;[4-[8-[(2R,6S)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;4-[6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one
CID 157211560
4-[8-Tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-cyclopropyl-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-propan-2-ylpiperazin-2-one;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;[4-[6-(4-fluorophenyl)-8-(oxan-4-yl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone
CID 157384753
5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyridine-3-carboxamide;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[(5-methylpyrazin-2-yl)methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 157437695
4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;[4-[8-tert-butyl-6-(3-fluoro-4-methylphenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;[8-tert-butyl-6-(3-fluoro-4-methylphenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone
CID 157445675
4-[5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;N-methyl-5-[7-(4-methylcyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-2-carboxamide
CID 157449389
1-[3,3-dimethyl-4-[6-(3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;[4-[8-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 157514136
2-cyclopropyl-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-5-methylhexan-1-one;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-(oxan-4-yl)ethanone;4,4,4-trifluoro-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]butan-1-one
CID 157546586
(4-ethoxypiperidin-1-yl)-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]methanone;1-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]piperidine-4-carbonitrile;[1-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl] N-ethylcarbamate;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-(2-oxa-8-azaspiro[3.5]nonan-8-yl)methanone;1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propan-1-one
CID 157547984
N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-(4-methylbenzoyl)-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-[2,2,2-trifluoro-1-(4-propan-2-yloxycyclohexyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-N-(4-propoxycyclohexanecarbonyl)-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 157576382
3-amino-6-[4-fluoro-3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyridine-2-carboxamide;2-[2,4-difluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(3-methoxypropyl)pyrimidine-4-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-[(2S)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;6-[2-fluoro-5-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-3-[(2R)-3-methoxy-2-methylpropyl]pyridine-2-carboxamide;5-fluoro-6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methylpyridine-2-carboxamide;4-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(3,3,3-trifluoropropyl)pyrimidine-2-carboxamide;2-[3-[3-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-ynyl]phenyl]-6-(5-methylpyrazol-1-yl)pyrimidine-4-carboxamide
CID 157689381

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3,4-difluorophenyl)-6-methyl-3-[2-[(3R)-oxolan-3-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;N-(3,4-difluorophenyl)-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;N-(2,6-difluoro-4-pyridinyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[2-(3-methyloxolan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of (6S)-N-(3,4-difluorophenyl)-6-methyl-3-[2-[(3R)-oxolan-3-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;N-(3,4-difluorophenyl)-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;N-(2,6-difluoro-4-pyridinyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[2-(3-methyloxolan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 159722916) is (6S)-N-(3,4-difluorophenyl)-6-methyl-3-[2-[(3R)-oxolan-3-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;N-(3,4-difluorophenyl)-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;N-(2,6-difluoro-4-pyridinyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[2-(3-methyloxolan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for (6S)-N-(3,4-difluorophenyl)-6-methyl-3-[2-[(3R)-oxolan-3-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;N-(3,4-difluorophenyl)-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;N-(2,6-difluoro-4-pyridinyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[2-(3-methyloxolan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for (6S)-N-(3,4-difluorophenyl)-6-methyl-3-[2-[(3R)-oxolan-3-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;N-(3,4-difluorophenyl)-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;N-(2,6-difluoro-4-pyridinyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[2-(3-methyloxolan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CC1(CC(=O)c2ncn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)CC3)CCOC1.C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)nc(F)c1)CC2)C(F)(F)F.C[C@@H](CC(=O)c1nnn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F.C[C@@H](NC(=O)c1ccn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F.C[C@H]1Cn2ncc(C(=O)C[C@H](C)C(F)(F)F)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(C(=O)C[C@H]3CCOC3)c2CN1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of (6S)-N-(3,4-difluorophenyl)-6-methyl-3-[2-[(3R)-oxolan-3-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;N-(3,4-difluorophenyl)-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;N-(2,6-difluoro-4-pyridinyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[2-(3-methyloxolan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is NAGNGAFFALORNW-YGJFNDNTSA-N. The full InChI is InChI=1S/C20H21F3N4O3.C20H22F2N4O3.C19H18F6N4O2.C18H17F5N4O2.2C17H16F5N5O2/c1-20(2-5-30-10-20)8-16(28)18-15-9-26(3-4-27(15)11-24-18)19(29)25-12-6-13(21)17(23)14(22)7-12;1-12-9-26-18(15(8-23-26)19(27)6-13-4-5-29-11-13)10-25(12)20(28)24-14-2-3-16(21)17(22)7-14;1-9(19(23,24)25)3-16(30)12-6-26-29-7-10(2)28(8-15(12)29)18(31)27-11-4-13(20)17(22)14(21)5-11;1-10(18(21,22)23)24-16(28)12-4-5-26-6-7-27(9-15(12)26)17(29)25-11-2-3-13(19)14(20)8-11;1-9(17(20,21)22)4-12(28)15-11-7-26(2-3-27(11)8-23-15)16(29)24-10-5-13(18)25-14(19)6-10;1-9(17(20,21)22)6-14(28)15-13-8-26(4-5-27(13)25-24-15)16(29)23-10-2-3-11(18)12(19)7-10/h6-7,11H,2-5,8-10H2,1H3,(H,25,29);2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,24,28);4-6,9-10H,3,7-8H2,1-2H3,(H,27,31);2-5,8,10H,6-7,9H2,1H3,(H,24,28)(H,25,29);5-6,8-9H,2-4,7H2,1H3,(H,24,25,29);2-3,7,9H,4-6,8H2,1H3,(H,23,29)/t;12-,13+;9-,10-;10-;2*9-/m.00100/s1.
What are the key properties of (6S)-N-(3,4-difluorophenyl)-6-methyl-3-[2-[(3R)-oxolan-3-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;N-(3,4-difluorophenyl)-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;N-(2,6-difluoro-4-pyridinyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[2-(3-methyloxolan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[2-[(3R)-oxolan-3-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;N-(3,4-difluorophenyl)-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;N-(2,6-difluoro-4-pyridinyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[2-(3-methyloxolan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 2526.22 g/mol, XLogP of 21.31, 23 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3,4-difluorophenyl)-6-methyl-3-[2-[(3R)-oxolan-3-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;N-(3,4-difluorophenyl)-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;N-(2,6-difluoro-4-pyridinyl)-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[2-(3-methyloxolan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 159722916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).