(2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-(1-but-2-ynyl-3-methyl-2,6-dioxopurin-7-yl)propanamide;2-[1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;(2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]propanamide;2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;molecular hydrogen

C145H143F6N55O20S — CID 157341446

About (2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-(1-but-2-ynyl-3-methyl-2,6-dioxopurin-7-yl)propanamide;2-[1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;(2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]propanamide;2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;molecular hydrogen

(2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-(1-but-2-ynyl-3-methyl-2,6-dioxopurin-7-yl)propanamide;2-[1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;(2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]propanamide;2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;molecular hydrogen (PubChem CID 157341446) has the molecular formula C145H143F6N55O20S and a molecular weight of 3122.16 g/mol. Its IUPAC name is (2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-(1-but-2-ynyl-3-methyl-2,6-dioxopurin-7-yl)propanamide;2-[1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;(2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]propanamide;2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;molecular hydrogen.

Molecular Properties

• Compound Name: (2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-(1-but-2-ynyl-3-methyl-2,6-dioxopurin-7-yl)propanamide;2-[1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;(2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]propanamide;2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;molecular hydrogen
• PubChem CID: 157341446
• Molecular Formula: C145H143F6N55O20S
• Molecular Weight: 3122.16 g/mol
• Exact Mass: 3120.15
• IUPAC Name: (2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-(1-but-2-ynyl-3-methyl-2,6-dioxopurin-7-yl)propanamide;2-[1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;(2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]propanamide;2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;molecular hydrogen
• SMILES: CC#CCn1c(=O)c2c(ncn2[C@@H](C)C(=O)Nc2csc(-c3cnc(N4CC5CC5C4)nc3)n2)n(C)c1=O.CCC(=O)Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc(-c3cnc(C)c(C(F)(F)F)c3)n2)n(C)c1=O.C[C@@H](C(=O)Nc1cncc(-c2cnc(N3CC4CC4C3)nc2)n1)n1cnc2c1c(=O)n(CC#N)c(=O)n2C.Cc1ncc(-c2cccc(NC(=O)Cn3cnc4c3c(=O)n(CCCO)c(=O)n4C)n2)cc1C(F)(F)F.[C-]#[N+]Cn1c(=O)c2c(ncn2[C@@H](C)C(=O)Nc2ccnc(-c3ccc(N4CC5CC5C4)nc3)n2)n(C)c1=O.[C-]#[N+]Cn1c(=O)c2c(ncn2[C@@H](C)C(=O)Nc2ccnc(-c3cnc(N4CCC[C@H]4C)nc3)n2)n(C)c1=O.[H][H]
• InChI: InChI=1S/C25H24N10O3.C25H25N9O3S.C24H22F3N7O4.C24H23N11O3.C24H25N11O3.C23H22F3N7O4.H2/c1-14(34-13-29-22-20(34)24(37)35(12-26-2)25(38)32(22)3)23(36)31-18-6-7-27-21(30-18)15-4-5-19(28-9-15)33-10-16-8-17(16)11-33;1-4-5-6-33-23(36)19-20(31(3)25(33)37)28-13-34(19)14(2)21(35)29-18-12-38-22(30-18)17-8-26-24(27-9-17)32-10-15-7-16(15)11-32;1-4-15(35)10-34-22(37)20-21(32(3)23(34)38)29-12-33(20)11-19(36)31-18-7-5-6-17(30-18)14-8-16(24(25,26)27)13(2)28-9-14;1-13(35-12-29-20-19(35)22(37)34(4-3-25)24(38)32(20)2)21(36)31-18-9-26-8-17(30-18)16-6-27-23(28-7-16)33-10-14-5-15(14)11-33;1-14-6-5-9-33(14)23-27-10-16(11-28-23)19-26-8-7-17(30-19)31-21(36)15(2)34-13-29-20-18(34)22(37)35(12-25-3)24(38)32(20)4;1-13-15(23(24,25)26)9-14(10-27-13)16-5-3-6-17(29-16)30-18(35)11-32-12-28-20-19(32)21(36)33(7-4-8-34)22(37)31(20)2;/h4-7,9,13-14,16-17H,8,10-12H2,1,3H3,(H,27,30,31,36);8-9,12-16H,6-7,10-11H2,1-3H3,(H,29,35);5-9,12H,4,10-11H2,1-3H3,(H,30,31,36);6-9,12-15H,4-5,10-11H2,1-2H3,(H,30,31,36);7-8,10-11,13-15H,5-6,9,12H2,1-2,4H3,(H,26,30,31,36);3,5-6,9-10,12,34H,4,7-8,11H2,1-2H3,(H,29,30,35);1H/t14-,16?,17?;14-,15?,16?;;13-,14?,15?;14-,15+;;/m00.01../s1
• InChIKey: BGLGESZYJDSRCA-LRYHHZCOSA-N
• XLogP: 8.55
• TPSA: 860.31 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 68
• Rotatable Bonds: 38
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3122.16
LogP ≤ 5	8.55
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	68

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-(1-but-2-ynyl-3-methyl-2,6-dioxopurin-7-yl)propanamide;2-[1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;(2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]propanamide;2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;molecular hydrogen?

The IUPAC name of (2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-(1-but-2-ynyl-3-methyl-2,6-dioxopurin-7-yl)propanamide;2-[1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;(2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]propanamide;2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;molecular hydrogen (CID 157341446) is (2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-(1-but-2-ynyl-3-methyl-2,6-dioxopurin-7-yl)propanamide;2-[1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;(2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]propanamide;2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;molecular hydrogen.

What is the SMILES notation for (2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-(1-but-2-ynyl-3-methyl-2,6-dioxopurin-7-yl)propanamide;2-[1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;(2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]propanamide;2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;molecular hydrogen?

The canonical SMILES for (2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-(1-but-2-ynyl-3-methyl-2,6-dioxopurin-7-yl)propanamide;2-[1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;(2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]propanamide;2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;molecular hydrogen is CC#CCn1c(=O)c2c(ncn2[C@@H](C)C(=O)Nc2csc(-c3cnc(N4CC5CC5C4)nc3)n2)n(C)c1=O.CCC(=O)Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc(-c3cnc(C)c(C(F)(F)F)c3)n2)n(C)c1=O.C[C@@H](C(=O)Nc1cncc(-c2cnc(N3CC4CC4C3)nc2)n1)n1cnc2c1c(=O)n(CC#N)c(=O)n2C.Cc1ncc(-c2cccc(NC(=O)Cn3cnc4c3c(=O)n(CCCO)c(=O)n4C)n2)cc1C(F)(F)F.[C-]#[N+]Cn1c(=O)c2c(ncn2[C@@H](C)C(=O)Nc2ccnc(-c3ccc(N4CC5CC5C4)nc3)n2)n(C)c1=O.[C-]#[N+]Cn1c(=O)c2c(ncn2[C@@H](C)C(=O)Nc2ccnc(-c3cnc(N4CCC[C@H]4C)nc3)n2)n(C)c1=O.[H][H].

What is the InChIKey of (2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-(1-but-2-ynyl-3-methyl-2,6-dioxopurin-7-yl)propanamide;2-[1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;(2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]propanamide;2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;molecular hydrogen?

The InChIKey is BGLGESZYJDSRCA-LRYHHZCOSA-N. The full InChI is InChI=1S/C25H24N10O3.C25H25N9O3S.C24H22F3N7O4.C24H23N11O3.C24H25N11O3.C23H22F3N7O4.H2/c1-14(34-13-29-22-20(34)24(37)35(12-26-2)25(38)32(22)3)23(36)31-18-6-7-27-21(30-18)15-4-5-19(28-9-15)33-10-16-8-17(16)11-33;1-4-5-6-33-23(36)19-20(31(3)25(33)37)28-13-34(19)14(2)21(35)29-18-12-38-22(30-18)17-8-26-24(27-9-17)32-10-15-7-16(15)11-32;1-4-15(35)10-34-22(37)20-21(32(3)23(34)38)29-12-33(20)11-19(36)31-18-7-5-6-17(30-18)14-8-16(24(25,26)27)13(2)28-9-14;1-13(35-12-29-20-19(35)22(37)34(4-3-25)24(38)32(20)2)21(36)31-18-9-26-8-17(30-18)16-6-27-23(28-7-16)33-10-14-5-15(14)11-33;1-14-6-5-9-33(14)23-27-10-16(11-28-23)19-26-8-7-17(30-19)31-21(36)15(2)34-13-29-20-18(34)22(37)35(12-25-3)24(38)32(20)4;1-13-15(23(24,25)26)9-14(10-27-13)16-5-3-6-17(29-16)30-18(35)11-32-12-28-20-19(32)21(36)33(7-4-8-34)22(37)31(20)2;/h4-7,9,13-14,16-17H,8,10-12H2,1,3H3,(H,27,30,31,36);8-9,12-16H,6-7,10-11H2,1-3H3,(H,29,35);5-9,12H,4,10-11H2,1-3H3,(H,30,31,36);6-9,12-15H,4-5,10-11H2,1-2H3,(H,30,31,36);7-8,10-11,13-15H,5-6,9,12H2,1-2,4H3,(H,26,30,31,36);3,5-6,9-10,12,34H,4,7-8,11H2,1-2H3,(H,29,30,35);1H/t14-,16?,17?;14-,15?,16?;;13-,14?,15?;14-,15+;;/m00.01../s1.

What are the key properties of (2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-(1-but-2-ynyl-3-methyl-2,6-dioxopurin-7-yl)propanamide;2-[1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;(2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]propanamide;2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;molecular hydrogen?

(2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-(1-but-2-ynyl-3-methyl-2,6-dioxopurin-7-yl)propanamide;2-[1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;(2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]propanamide;2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;molecular hydrogen has a molecular weight of 3122.16 g/mol, XLogP of 8.55, 38 rotatable bonds, 7 hydrogen bond donors, and 68 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-(1-but-2-ynyl-3-methyl-2,6-dioxopurin-7-yl)propanamide;2-[1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;(2S)-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]pyrimidin-4-yl]propanamide;2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;molecular hydrogen is sourced from PubChem (CID 157341446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).