(7S)-3-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetamide;N-[5-[2-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetyl]-2-pyridinyl]acetamide;sulfane

C60H59F9N14O7S3 — CID 157410455

IUPAC(7S)-3-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetamide;N-[5-[2-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetyl]-2-pyridinyl]acetamide;sulfane
SMILESCC(=O)Nc1ccc(C(=O)Cc2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)cn1.CC(=O)Nc1cnn2c1C(=O)N(c1ccc(C(F)(F)F)cc1)C[C@@H]2C.C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(CC(=O)c3ccc(N)nc3)cnn21.S.S.S
InChIInChI=1S/C23H20F3N5O3.C21H18F3N5O2.C16H15F3N4O2.3H2S/c1-13-12-30(18-6-4-17(5-7-18)23(24,25)26)22(34)21-16(11-28-31(13)21)9-19(33)15-3-8-20(27-10-15)29-14(2)32;1-12-11-28(16-5-3-15(4-6-16)21(22,23)24)20(31)19-14(10-27-29(12)19)8-17(30)13-2-7-18(25)26-9-13;1-9-8-22(12-5-3-11(4-6-12)16(17,18)19)15(25)14-13(21-10(2)24)7-20-23(9)14;;;/h3-8,10-11,13H,9,12H2,1-2H3,(H,27,29,32);2-7,9-10,12H,8,11H2,1H3,(H2,25,26);3-7,9H,8H2,1-2H3,(H,21,24);3*1H2/t13-;12-;9-;;;/m000.../s1
InChIKeyBOFLNTFUDUXCOB-GFFMZQBVSA-N
MW1355.41 g/mol
LogP10.85
Rot. Bonds11

About (7S)-3-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetamide;N-[5-[2-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetyl]-2-pyridinyl]acetamide;sulfane

(7S)-3-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetamide;N-[5-[2-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetyl]-2-pyridinyl]acetamide;sulfane (PubChem CID 157410455) has the molecular formula C60H59F9N14O7S3 and a molecular weight of 1355.41 g/mol. Its IUPAC name is (7S)-3-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetamide;N-[5-[2-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetyl]-2-pyridinyl]acetamide;sulfane.

Molecular Properties

Compound Name(7S)-3-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetamide;N-[5-[2-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetyl]-2-pyridinyl]acetamide;sulfane
PubChem CID157410455
Molecular FormulaC60H59F9N14O7S3
Molecular Weight1355.41 g/mol
Exact Mass1354.37
IUPAC Name(7S)-3-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetamide;N-[5-[2-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetyl]-2-pyridinyl]acetamide;sulfane
SMILESCC(=O)Nc1ccc(C(=O)Cc2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)cn1.CC(=O)Nc1cnn2c1C(=O)N(c1ccc(C(F)(F)F)cc1)C[C@@H]2C.C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(CC(=O)c3ccc(N)nc3)cnn21.S.S.S
InChIInChI=1S/C23H20F3N5O3.C21H18F3N5O2.C16H15F3N4O2.3H2S/c1-13-12-30(18-6-4-17(5-7-18)23(24,25)26)22(34)21-16(11-28-31(13)21)9-19(33)15-3-8-20(27-10-15)29-14(2)32;1-12-11-28(16-5-3-15(4-6-16)21(22,23)24)20(31)19-14(10-27-29(12)19)8-17(30)13-2-7-18(25)26-9-13;1-9-8-22(12-5-3-11(4-6-12)16(17,18)19)15(25)14-13(21-10(2)24)7-20-23(9)14;;;/h3-8,10-11,13H,9,12H2,1-2H3,(H,27,29,32);2-7,9-10,12H,8,11H2,1H3,(H2,25,26);3-7,9H,8H2,1-2H3,(H,21,24);3*1H2/t13-;12-;9-;;;/m000.../s1
InChIKeyBOFLNTFUDUXCOB-GFFMZQBVSA-N
XLogP10.85
TPSA258.53 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001355.41
LogP ≤ 510.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze (7S)-3-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetamide;N-[5-[2-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetyl]-2-pyridinyl]acetamide;sulfane 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
US9834554, Example 10
CID 118190737
(2S,4R)-1-(2-(3-acetyl-5-(2-aminopyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-4-fluoro-N-(6-(trifluoromethyl) pyridin-2-yl)pyrrolidine-2-carboxamide
CID 126642829
(2S,4R)-1-(2-(3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indazol-1-yl)acetyl)-4-fluoro-N-(6-(trifluoromethyl) pyrazin-2-yl)pyrrolidine-2-carboxamide
CID 126643128
(2S,4R)-1-(2-(3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indol-1-yl)acetyl)-4-fluoro-N-(6-(trifluoromethyl) pyridin-2-yl)pyrrolidine-2-carboxamide
CID 126643227
(2S,4R)-1-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-4-fluoro-N-(6-(trifluoromethyl) pyrazin-2-yl)pyrrolidine-2-carboxamide
CID 126643379
US11053253, Cmp No. T-124
CID 147442270
US11053253, Cmp No. T-126
CID 153306630
US11053253, Cmp No. T-132
CID 153306856
US11053253, Cmp No. T-168
CID 156566508
US11053253, Cmp No. T-128
CID 156566832
US11084800, Cpd No. 341
CID 157473741

Frequently Asked Questions

What is the IUPAC name of (7S)-3-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetamide;N-[5-[2-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetyl]-2-pyridinyl]acetamide;sulfane?
The IUPAC name of (7S)-3-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetamide;N-[5-[2-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetyl]-2-pyridinyl]acetamide;sulfane (CID 157410455) is (7S)-3-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetamide;N-[5-[2-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetyl]-2-pyridinyl]acetamide;sulfane.
What is the SMILES notation for (7S)-3-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetamide;N-[5-[2-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetyl]-2-pyridinyl]acetamide;sulfane?
The canonical SMILES for (7S)-3-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetamide;N-[5-[2-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetyl]-2-pyridinyl]acetamide;sulfane is CC(=O)Nc1ccc(C(=O)Cc2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)cn1.CC(=O)Nc1cnn2c1C(=O)N(c1ccc(C(F)(F)F)cc1)C[C@@H]2C.C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(CC(=O)c3ccc(N)nc3)cnn21.S.S.S.
What is the InChIKey of (7S)-3-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetamide;N-[5-[2-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetyl]-2-pyridinyl]acetamide;sulfane?
The InChIKey is BOFLNTFUDUXCOB-GFFMZQBVSA-N. The full InChI is InChI=1S/C23H20F3N5O3.C21H18F3N5O2.C16H15F3N4O2.3H2S/c1-13-12-30(18-6-4-17(5-7-18)23(24,25)26)22(34)21-16(11-28-31(13)21)9-19(33)15-3-8-20(27-10-15)29-14(2)32;1-12-11-28(16-5-3-15(4-6-16)21(22,23)24)20(31)19-14(10-27-29(12)19)8-17(30)13-2-7-18(25)26-9-13;1-9-8-22(12-5-3-11(4-6-12)16(17,18)19)15(25)14-13(21-10(2)24)7-20-23(9)14;;;/h3-8,10-11,13H,9,12H2,1-2H3,(H,27,29,32);2-7,9-10,12H,8,11H2,1H3,(H2,25,26);3-7,9H,8H2,1-2H3,(H,21,24);3*1H2/t13-;12-;9-;;;/m000.../s1.
What are the key properties of (7S)-3-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetamide;N-[5-[2-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetyl]-2-pyridinyl]acetamide;sulfane?
(7S)-3-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetamide;N-[5-[2-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetyl]-2-pyridinyl]acetamide;sulfane has a molecular weight of 1355.41 g/mol, XLogP of 10.85, 11 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetamide;N-[5-[2-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetyl]-2-pyridinyl]acetamide;sulfane is sourced from PubChem (CID 157410455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).