N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-N-[6-[6-chloro-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]pyrazin-2-yl]-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[6-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]propanamide

C140H137ClF8N52O24S2 — CID 161223996

About N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-N-[6-[6-chloro-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]pyrazin-2-yl]-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[6-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]propanamide

N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-N-[6-[6-chloro-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]pyrazin-2-yl]-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[6-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]propanamide (PubChem CID 161223996) has the molecular formula C140H137ClF8N52O24S2 and a molecular weight of 3183.55 g/mol. Its IUPAC name is N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-N-[6-[6-chloro-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]pyrazin-2-yl]-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[6-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]propanamide.

Molecular Properties

• Compound Name: N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-N-[6-[6-chloro-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]pyrazin-2-yl]-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[6-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]propanamide
• PubChem CID: 161223996
• Molecular Formula: C140H137ClF8N52O24S2
• Molecular Weight: 3183.55 g/mol
• Exact Mass: 3181.01
• IUPAC Name: N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-N-[6-[6-chloro-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]pyrazin-2-yl]-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[6-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]propanamide
• SMILES: CC(=O)Cn1c(=O)c2c(ncn2[C@@H](C)C(=O)Nc2csc(-c3cnc(C)nc3)n2)n(C)c1=O.C[C@@H](C(=O)Nc1cncc(-c2cnc(C(C)(F)F)nc2)n1)n1cnc2c1c(=O)n(Cc1ccon1)c(=O)n2C.Cc1cc(Cn2c(=O)c3c(ncn3CC(=O)Nc3cccc(N4CC5CC5C4)n3)n(C)c2=O)no1.Cc1cc(Cn2c(=O)c3c(ncn3CC(=O)Nc3cccc(N4CCN(CC(C)(F)F)CC4)n3)n(C)c2=O)no1.Cc1cc(Cn2c(=O)c3c(ncn3[C@@H](C)C(=O)Nc3cccc(-c4cnc(Cl)c(C(C)(F)F)c4)n3)n(C)c2=O)no1.Cc1cc(Cn2c(=O)c3c(ncn3[C@@H](C)C(=O)Nc3csc(-c4cnc(C(C)(F)F)nc4)n3)n(C)c2=O)no1
• InChI: InChI=1S/C26H23ClF2N8O4.C25H29F2N9O4.C23H20F2N10O4.C23H21F2N9O4S.C23H24N8O4.C20H20N8O4S/c1-13-8-16(34-41-13)11-36-24(39)20-22(35(4)25(36)40)31-12-37(20)14(2)23(38)33-19-7-5-6-18(32-19)15-9-17(26(3,28)29)21(27)30-10-15;1-16-11-17(31-40-16)12-36-23(38)21-22(32(3)24(36)39)28-15-35(21)13-20(37)30-18-5-4-6-19(29-18)34-9-7-33(8-10-34)14-25(2,26)27;1-12(19(36)31-16-9-26-8-15(30-16)13-6-27-21(28-7-13)23(2,24)25)35-11-29-18-17(35)20(37)34(22(38)33(18)3)10-14-4-5-39-32-14;1-11-5-14(31-38-11)8-33-20(36)16-17(32(4)22(33)37)28-10-34(16)12(2)18(35)29-15-9-39-19(30-15)13-6-26-21(27-7-13)23(3,24)25;1-13-6-16(27-35-13)10-31-22(33)20-21(28(2)23(31)34)24-12-30(20)11-19(32)26-17-4-3-5-18(25-17)29-8-14-7-15(14)9-29;1-10(29)7-27-19(31)15-16(26(4)20(27)32)23-9-28(15)11(2)17(30)24-14-8-33-18(25-14)13-5-21-12(3)22-6-13/h5-10,12,14H,11H2,1-4H3,(H,32,33,38);4-6,11,15H,7-10,12-14H2,1-3H3,(H,29,30,37);4-9,11-12H,10H2,1-3H3,(H,30,31,36);5-7,9-10,12H,8H2,1-4H3,(H,29,35);3-6,12,14-15H,7-11H2,1-2H3,(H,25,26,32);5-6,8-9,11H,7H2,1-4H3,(H,24,30)/t14-;;2*12-;;11-/m0.00.0/s1
• InChIKey: UXWPYYVVYMUGKV-ICTNJCRPSA-N
• XLogP: 10.31
• TPSA: 882.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 72
• Rotatable Bonds: 41
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3183.55
LogP ≤ 5	10.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	72

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-N-[6-[6-chloro-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]pyrazin-2-yl]-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[6-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]propanamide?

The IUPAC name of N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-N-[6-[6-chloro-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]pyrazin-2-yl]-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[6-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]propanamide (CID 161223996) is N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-N-[6-[6-chloro-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]pyrazin-2-yl]-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[6-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]propanamide.

What is the SMILES notation for N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-N-[6-[6-chloro-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]pyrazin-2-yl]-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[6-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]propanamide?

The canonical SMILES for N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-N-[6-[6-chloro-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]pyrazin-2-yl]-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[6-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]propanamide is CC(=O)Cn1c(=O)c2c(ncn2[C@@H](C)C(=O)Nc2csc(-c3cnc(C)nc3)n2)n(C)c1=O.C[C@@H](C(=O)Nc1cncc(-c2cnc(C(C)(F)F)nc2)n1)n1cnc2c1c(=O)n(Cc1ccon1)c(=O)n2C.Cc1cc(Cn2c(=O)c3c(ncn3CC(=O)Nc3cccc(N4CC5CC5C4)n3)n(C)c2=O)no1.Cc1cc(Cn2c(=O)c3c(ncn3CC(=O)Nc3cccc(N4CCN(CC(C)(F)F)CC4)n3)n(C)c2=O)no1.Cc1cc(Cn2c(=O)c3c(ncn3[C@@H](C)C(=O)Nc3cccc(-c4cnc(Cl)c(C(C)(F)F)c4)n3)n(C)c2=O)no1.Cc1cc(Cn2c(=O)c3c(ncn3[C@@H](C)C(=O)Nc3csc(-c4cnc(C(C)(F)F)nc4)n3)n(C)c2=O)no1.

What is the InChIKey of N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-N-[6-[6-chloro-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]pyrazin-2-yl]-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[6-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]propanamide?

The InChIKey is UXWPYYVVYMUGKV-ICTNJCRPSA-N. The full InChI is InChI=1S/C26H23ClF2N8O4.C25H29F2N9O4.C23H20F2N10O4.C23H21F2N9O4S.C23H24N8O4.C20H20N8O4S/c1-13-8-16(34-41-13)11-36-24(39)20-22(35(4)25(36)40)31-12-37(20)14(2)23(38)33-19-7-5-6-18(32-19)15-9-17(26(3,28)29)21(27)30-10-15;1-16-11-17(31-40-16)12-36-23(38)21-22(32(3)24(36)39)28-15-35(21)13-20(37)30-18-5-4-6-19(29-18)34-9-7-33(8-10-34)14-25(2,26)27;1-12(19(36)31-16-9-26-8-15(30-16)13-6-27-21(28-7-13)23(2,24)25)35-11-29-18-17(35)20(37)34(22(38)33(18)3)10-14-4-5-39-32-14;1-11-5-14(31-38-11)8-33-20(36)16-17(32(4)22(33)37)28-10-34(16)12(2)18(35)29-15-9-39-19(30-15)13-6-26-21(27-7-13)23(3,24)25;1-13-6-16(27-35-13)10-31-22(33)20-21(28(2)23(31)34)24-12-30(20)11-19(32)26-17-4-3-5-18(25-17)29-8-14-7-15(14)9-29;1-10(29)7-27-19(31)15-16(26(4)20(27)32)23-9-28(15)11(2)17(30)24-14-8-33-18(25-14)13-5-21-12(3)22-6-13/h5-10,12,14H,11H2,1-4H3,(H,32,33,38);4-6,11,15H,7-10,12-14H2,1-3H3,(H,29,30,37);4-9,11-12H,10H2,1-3H3,(H,30,31,36);5-7,9-10,12H,8H2,1-4H3,(H,29,35);3-6,12,14-15H,7-11H2,1-2H3,(H,25,26,32);5-6,8-9,11H,7H2,1-4H3,(H,24,30)/t14-;;2*12-;;11-/m0.00.0/s1.

What are the key properties of N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-N-[6-[6-chloro-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]pyrazin-2-yl]-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[6-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]propanamide?

N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-N-[6-[6-chloro-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]pyrazin-2-yl]-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[6-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]propanamide has a molecular weight of 3183.55 g/mol, XLogP of 10.31, 41 rotatable bonds, 6 hydrogen bond donors, and 72 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-N-[6-[6-chloro-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]pyrazin-2-yl]-2-[3-methyl-1-(1,2-oxazol-3-ylmethyl)-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]propanamide;N-[6-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide;(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[2-(2-methylpyrimidin-5-yl)-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 161223996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).