5-(5-amino-3,3-difluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]acetate;N-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]-4-cyclopropylbenzamide;4-cyclopropylbenzoic acid;5-[(5S)-5-[(4-cyclopropylbenzoyl)amino]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

C92H101F8N31O7 — CID 159984935

IUPAC5-(5-amino-3,3-difluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]acetate;N-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]-4-cyclopropylbenzamide;4-cyclopropylbenzoic acid;5-[(5S)-5-[(4-cyclopropylbenzoyl)amino]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCn1cc(Nc2nc(N3CC(CC(=O)OC(C)(C)C)CC(F)(F)C3)cnc2C#N)cn1.Cn1cc(Nc2nc(N3CC(N)CC(F)(F)C3)cnc2C#N)cn1.Cn1cc(Nc2nc(N3CC(NC(=O)c4ccc(C5CC5)cc4)CC(F)(F)C3)cnc2C#N)cn1.Cn1cc(Nc2nc(N3C[C@@H](NC(=O)c4ccc(C5CC5)cc4)CC(F)(F)C3)cnc2C(N)=O)cn1.O=C(O)c1ccc(C2CC2)cc1
InChIInChI=1S/C24H26F2N8O2.C24H24F2N8O.C20H25F2N7O2.C14H16F2N8.C10H10O2/c1-33-11-18(9-29-33)30-22-20(21(27)35)28-10-19(32-22)34-12-17(8-24(25,26)13-34)31-23(36)16-6-4-15(5-7-16)14-2-3-14;1-33-12-19(10-29-33)30-22-20(9-27)28-11-21(32-22)34-13-18(8-24(25,26)14-34)31-23(35)17-6-4-16(5-7-17)15-2-3-15;1-19(2,3)31-17(30)5-13-6-20(21,22)12-29(10-13)16-9-24-15(7-23)18(27-16)26-14-8-25-28(4)11-14;1-23-7-10(4-20-23)21-13-11(3-17)19-5-12(22-13)24-6-9(18)2-14(15,16)8-24;11-10(12)9-5-3-8(4-6-9)7-1-2-7/h4-7,9-11,14,17H,2-3,8,12-13H2,1H3,(H2,27,35)(H,30,32)(H,31,36);4-7,10-12,15,18H,2-3,8,13-14H2,1H3,(H,30,32)(H,31,35);8-9,11,13H,5-6,10,12H2,1-4H3,(H,26,27);4-5,7,9H,2,6,8,18H2,1H3,(H,21,22);3-7H,1-2H2,(H,11,12)/t17-;;;;/m0..../s1
InChIKeyOGFGXXDAQQSZNG-UYVPJCOTSA-N
MW1905.01 g/mol
LogP12.20
Rot. Bonds23

About 5-(5-amino-3,3-difluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]acetate;N-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]-4-cyclopropylbenzamide;4-cyclopropylbenzoic acid;5-[(5S)-5-[(4-cyclopropylbenzoyl)amino]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

5-(5-amino-3,3-difluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]acetate;N-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]-4-cyclopropylbenzamide;4-cyclopropylbenzoic acid;5-[(5S)-5-[(4-cyclopropylbenzoyl)amino]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 159984935) has the molecular formula C92H101F8N31O7 and a molecular weight of 1905.01 g/mol. Its IUPAC name is 5-(5-amino-3,3-difluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]acetate;N-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]-4-cyclopropylbenzamide;4-cyclopropylbenzoic acid;5-[(5S)-5-[(4-cyclopropylbenzoyl)amino]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(5-amino-3,3-difluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]acetate;N-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]-4-cyclopropylbenzamide;4-cyclopropylbenzoic acid;5-[(5S)-5-[(4-cyclopropylbenzoyl)amino]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
PubChem CID159984935
Molecular FormulaC92H101F8N31O7
Molecular Weight1905.01 g/mol
Exact Mass1903.84
IUPAC Name5-(5-amino-3,3-difluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]acetate;N-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]-4-cyclopropylbenzamide;4-cyclopropylbenzoic acid;5-[(5S)-5-[(4-cyclopropylbenzoyl)amino]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCn1cc(Nc2nc(N3CC(CC(=O)OC(C)(C)C)CC(F)(F)C3)cnc2C#N)cn1.Cn1cc(Nc2nc(N3CC(N)CC(F)(F)C3)cnc2C#N)cn1.Cn1cc(Nc2nc(N3CC(NC(=O)c4ccc(C5CC5)cc4)CC(F)(F)C3)cnc2C#N)cn1.Cn1cc(Nc2nc(N3C[C@@H](NC(=O)c4ccc(C5CC5)cc4)CC(F)(F)C3)cnc2C(N)=O)cn1.O=C(O)c1ccc(C2CC2)cc1
InChIInChI=1S/C24H26F2N8O2.C24H24F2N8O.C20H25F2N7O2.C14H16F2N8.C10H10O2/c1-33-11-18(9-29-33)30-22-20(21(27)35)28-10-19(32-22)34-12-17(8-24(25,26)13-34)31-23(36)16-6-4-15(5-7-16)14-2-3-14;1-33-12-19(10-29-33)30-22-20(9-27)28-11-21(32-22)34-13-18(8-24(25,26)14-34)31-23(35)17-6-4-16(5-7-17)15-2-3-15;1-19(2,3)31-17(30)5-13-6-20(21,22)12-29(10-13)16-9-24-15(7-23)18(27-16)26-14-8-25-28(4)11-14;1-23-7-10(4-20-23)21-13-11(3-17)19-5-12(22-13)24-6-9(18)2-14(15,16)8-24;11-10(12)9-5-3-8(4-6-9)7-1-2-7/h4-7,9-11,14,17H,2-3,8,12-13H2,1H3,(H2,27,35)(H,30,32)(H,31,36);4-7,10-12,15,18H,2-3,8,13-14H2,1H3,(H,30,32)(H,31,35);8-9,11,13H,5-6,10,12H2,1-4H3,(H,26,27);4-5,7,9H,2,6,8,18H2,1H3,(H,21,22);3-7H,1-2H2,(H,11,12)/t17-;;;;/m0..../s1
InChIKeyOGFGXXDAQQSZNG-UYVPJCOTSA-N
XLogP12.20
TPSA497.76 Ų
H-Bond Donors9
H-Bond Acceptors34
Rotatable Bonds23
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001905.01
LogP ≤ 512.20
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1034

Analyze 5-(5-amino-3,3-difluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]acetate;N-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]-4-cyclopropylbenzamide;4-cyclopropylbenzoic acid;5-[(5S)-5-[(4-cyclopropylbenzoyl)amino]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide with MolForge

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Related Compounds

3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzoic acid;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine
CID 157170803
4-[2-(3-But-2-ynyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)ethyl]benzoic acid;3-but-2-ynyl-2-piperazin-1-yl-5-(pyridin-2-ylmethyl)imidazo[4,5-d]pyridazin-4-one;3-but-2-ynyl-2-piperazin-1-yl-5-(pyridin-3-ylmethyl)imidazo[4,5-d]pyridazin-4-one;3-but-2-ynyl-2-piperazin-1-yl-5-(pyridin-4-ylmethyl)imidazo[4,5-d]pyridazin-4-one;methane;tetrakis(2,2,2-trifluoroacetic acid)
CID 158096600
tert-butyl (3R)-1-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperidine-4-carboxylate;(2R)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;(2R)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-2-phenylethanone;(3R,4R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-N,3-dimethylpiperidine-4-carboxamide
CID 158219408
5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide
CID 158772655
5-(5-amino-3,3-difluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]acetate;N-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]-4-cyclopropylbenzamide;4-cyclopropylbenzoic acid;5-[5-[(4-cyclopropylbenzoyl)amino]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 159984933
5-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]pyridine-3-carboxylic acid;N-cyclopropyl-3-[1-(6-methoxypyrazin-2-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide;N-cyclopropyl-4-methyl-3-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]benzamide
CID 160947080
5-(4-cyanophenyl)-1-cyclopropylpyrazole-3-carboxylic acid;4-[1-cyclopropyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-5-yl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol
CID 161188525
CID 167566479
CID 167566479
lithium;2-aminoacetonitrile;N-(cyanomethyl)-4-[2-[[1-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzamide;deuterio(fluoro)methane;4-[2-[[1-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzoic acid;2,2-difluorocyclopropane-1-carboxylic acid;methane;methyl 4-[2-[[1-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzoate;methyl 4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;hydroxide;dihydrochloride
CID 167643981
lithium;2-aminoacetonitrile;N-(cyanomethyl)-4-[5-methyl-2-[[1-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide;methyl 4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;methyl 4-[5-methyl-2-[[1-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;4-[5-methyl-2-[[1-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;1-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydroxide;dihydrochloride
CID 167672201
4-Cyclopropylbenzoic acid;5-[5-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 124110165
5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-tert-butyl-2-fluorobenzoic acid;5-[(2R,3R)-3-[(4-tert-butyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 2-amino-4-tert-butylbenzoate;methyl 4-tert-butyl-2-fluorobenzoate
CID 157050386

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3,3-difluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]acetate;N-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]-4-cyclopropylbenzamide;4-cyclopropylbenzoic acid;5-[(5S)-5-[(4-cyclopropylbenzoyl)amino]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 5-(5-amino-3,3-difluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]acetate;N-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]-4-cyclopropylbenzamide;4-cyclopropylbenzoic acid;5-[(5S)-5-[(4-cyclopropylbenzoyl)amino]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 159984935) is 5-(5-amino-3,3-difluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]acetate;N-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]-4-cyclopropylbenzamide;4-cyclopropylbenzoic acid;5-[(5S)-5-[(4-cyclopropylbenzoyl)amino]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(5-amino-3,3-difluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]acetate;N-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]-4-cyclopropylbenzamide;4-cyclopropylbenzoic acid;5-[(5S)-5-[(4-cyclopropylbenzoyl)amino]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-(5-amino-3,3-difluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]acetate;N-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]-4-cyclopropylbenzamide;4-cyclopropylbenzoic acid;5-[(5S)-5-[(4-cyclopropylbenzoyl)amino]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is Cn1cc(Nc2nc(N3CC(CC(=O)OC(C)(C)C)CC(F)(F)C3)cnc2C#N)cn1.Cn1cc(Nc2nc(N3CC(N)CC(F)(F)C3)cnc2C#N)cn1.Cn1cc(Nc2nc(N3CC(NC(=O)c4ccc(C5CC5)cc4)CC(F)(F)C3)cnc2C#N)cn1.Cn1cc(Nc2nc(N3C[C@@H](NC(=O)c4ccc(C5CC5)cc4)CC(F)(F)C3)cnc2C(N)=O)cn1.O=C(O)c1ccc(C2CC2)cc1.
What is the InChIKey of 5-(5-amino-3,3-difluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]acetate;N-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]-4-cyclopropylbenzamide;4-cyclopropylbenzoic acid;5-[(5S)-5-[(4-cyclopropylbenzoyl)amino]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The InChIKey is OGFGXXDAQQSZNG-UYVPJCOTSA-N. The full InChI is InChI=1S/C24H26F2N8O2.C24H24F2N8O.C20H25F2N7O2.C14H16F2N8.C10H10O2/c1-33-11-18(9-29-33)30-22-20(21(27)35)28-10-19(32-22)34-12-17(8-24(25,26)13-34)31-23(36)16-6-4-15(5-7-16)14-2-3-14;1-33-12-19(10-29-33)30-22-20(9-27)28-11-21(32-22)34-13-18(8-24(25,26)14-34)31-23(35)17-6-4-16(5-7-17)15-2-3-15;1-19(2,3)31-17(30)5-13-6-20(21,22)12-29(10-13)16-9-24-15(7-23)18(27-16)26-14-8-25-28(4)11-14;1-23-7-10(4-20-23)21-13-11(3-17)19-5-12(22-13)24-6-9(18)2-14(15,16)8-24;11-10(12)9-5-3-8(4-6-9)7-1-2-7/h4-7,9-11,14,17H,2-3,8,12-13H2,1H3,(H2,27,35)(H,30,32)(H,31,36);4-7,10-12,15,18H,2-3,8,13-14H2,1H3,(H,30,32)(H,31,35);8-9,11,13H,5-6,10,12H2,1-4H3,(H,26,27);4-5,7,9H,2,6,8,18H2,1H3,(H,21,22);3-7H,1-2H2,(H,11,12)/t17-;;;;/m0..../s1.
What are the key properties of 5-(5-amino-3,3-difluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]acetate;N-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]-4-cyclopropylbenzamide;4-cyclopropylbenzoic acid;5-[(5S)-5-[(4-cyclopropylbenzoyl)amino]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
5-(5-amino-3,3-difluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]acetate;N-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]-4-cyclopropylbenzamide;4-cyclopropylbenzoic acid;5-[(5S)-5-[(4-cyclopropylbenzoyl)amino]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 1905.01 g/mol, XLogP of 12.20, 23 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-3,3-difluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]acetate;N-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5,5-difluoropiperidin-3-yl]-4-cyclopropylbenzamide;4-cyclopropylbenzoic acid;5-[(5S)-5-[(4-cyclopropylbenzoyl)amino]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 159984935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).