N-[2-[[6-(2-aminoethylamino)-9-propan-2-ylpurin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[[5-(aminomethyl)-4-oxo-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-oxo-9-propan-2-yl-1H-purin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide

C100H99N35O10 — CID 159689155

IUPACN-[2-[[6-(2-aminoethylamino)-9-propan-2-ylpurin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[[5-(aminomethyl)-4-oxo-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-oxo-9-propan-2-yl-1H-purin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1Nc1nc(N)c2ncn(C(C)C)c2n1.CC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1Nc1nc(NCCN)c2ncn(C(C)C)c2n1.CC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1Nc1nc2c(c(CN)cn2C(C)C)c(=O)[nH]1.CC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1Nc1nc2c(ncn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C26H28N10O2.C26H26N8O3.C24H23N9O2.C24H22N8O3/c1-15(2)36-14-29-21-22(28-12-11-27)32-26(33-23(21)36)31-20-13-18(9-10-19(20)30-16(3)37)25-35-34-24(38-25)17-7-5-4-6-8-17;1-14(2)34-13-18(12-27)21-22(34)30-26(31-23(21)36)29-20-11-17(9-10-19(20)28-15(3)35)25-33-32-24(37-25)16-7-5-4-6-8-16;1-13(2)33-12-26-19-20(25)29-24(30-21(19)33)28-18-11-16(9-10-17(18)27-14(3)34)23-32-31-22(35-23)15-7-5-4-6-8-15;1-13(2)32-12-25-19-20(32)28-24(29-21(19)34)27-18-11-16(9-10-17(18)26-14(3)33)23-31-30-22(35-23)15-7-5-4-6-8-15/h4-10,13-15H,11-12,27H2,1-3H3,(H,30,37)(H2,28,31,32,33);4-11,13-14H,12,27H2,1-3H3,(H,28,35)(H2,29,30,31,36);4-13H,1-3H3,(H,27,34)(H3,25,28,29,30);4-13H,1-3H3,(H,26,33)(H2,27,28,29,34)
InChIKeyMWEMUVCADCGMJD-UHFFFAOYSA-N
MW1951.13 g/mol
LogP16.91
Rot. Bonds28

About N-[2-[[6-(2-aminoethylamino)-9-propan-2-ylpurin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[[5-(aminomethyl)-4-oxo-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-oxo-9-propan-2-yl-1H-purin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide

N-[2-[[6-(2-aminoethylamino)-9-propan-2-ylpurin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[[5-(aminomethyl)-4-oxo-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-oxo-9-propan-2-yl-1H-purin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide (PubChem CID 159689155) has the molecular formula C100H99N35O10 and a molecular weight of 1951.13 g/mol. Its IUPAC name is N-[2-[[6-(2-aminoethylamino)-9-propan-2-ylpurin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[[5-(aminomethyl)-4-oxo-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-oxo-9-propan-2-yl-1H-purin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[6-(2-aminoethylamino)-9-propan-2-ylpurin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[[5-(aminomethyl)-4-oxo-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-oxo-9-propan-2-yl-1H-purin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
PubChem CID159689155
Molecular FormulaC100H99N35O10
Molecular Weight1951.13 g/mol
Exact Mass1949.83
IUPAC NameN-[2-[[6-(2-aminoethylamino)-9-propan-2-ylpurin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[[5-(aminomethyl)-4-oxo-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-oxo-9-propan-2-yl-1H-purin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1Nc1nc(N)c2ncn(C(C)C)c2n1.CC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1Nc1nc(NCCN)c2ncn(C(C)C)c2n1.CC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1Nc1nc2c(c(CN)cn2C(C)C)c(=O)[nH]1.CC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1Nc1nc2c(ncn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C26H28N10O2.C26H26N8O3.C24H23N9O2.C24H22N8O3/c1-15(2)36-14-29-21-22(28-12-11-27)32-26(33-23(21)36)31-20-13-18(9-10-19(20)30-16(3)37)25-35-34-24(38-25)17-7-5-4-6-8-17;1-14(2)34-13-18(12-27)21-22(34)30-26(31-23(21)36)29-20-11-17(9-10-19(20)28-15(3)35)25-33-32-24(37-25)16-7-5-4-6-8-16;1-13(2)33-12-26-19-20(25)29-24(30-21(19)33)28-18-11-16(9-10-17(18)27-14(3)34)23-32-31-22(35-23)15-7-5-4-6-8-15;1-13(2)32-12-25-19-20(32)28-24(29-21(19)34)27-18-11-16(9-10-17(18)26-14(3)33)23-31-30-22(35-23)15-7-5-4-6-8-15/h4-10,13-15H,11-12,27H2,1-3H3,(H,30,37)(H2,28,31,32,33);4-11,13-14H,12,27H2,1-3H3,(H,28,35)(H2,29,30,31,36);4-13H,1-3H3,(H,27,34)(H3,25,28,29,30);4-13H,1-3H3,(H,26,33)(H2,27,28,29,34)
InChIKeyMWEMUVCADCGMJD-UHFFFAOYSA-N
XLogP16.91
TPSA611.74 Ų
H-Bond Donors14
H-Bond Acceptors39
Rotatable Bonds28
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001951.13
LogP ≤ 516.91
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1039

Analyze N-[2-[[6-(2-aminoethylamino)-9-propan-2-ylpurin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[[5-(aminomethyl)-4-oxo-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-oxo-9-propan-2-yl-1H-purin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3H-benzimidazol-5-yl)-5-[2-[2-[[5-[5-[2-[3-[6-(5-benzyl-1,3,4-oxadiazol-2-yl)-1H-benzimidazol-2-yl]phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzimidazol-1-yl]methyl]phenyl]ethyl]-1,3,4-oxadiazole
CID 123246066
N-[2-[[6-(2-aminoethylamino)-9-ethylpurin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 132157706
N-[2-[(6-amino-9-methylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 132157724
N-[2-[[6-(2-aminoethylamino)-9-propan-2-ylpurin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 132157740
N-[2-[[5-(aminomethyl)-7-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]formamide
CID 139547378
N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 139547382
N-[2-[[6-(2-aminoethylamino)-9-ethylpurin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]formamide
CID 145405817
N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]formamide
CID 145405824
N-[4-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-2-[(9-ethyl-6-oxo-1H-purin-2-yl)amino]phenyl]formamide
CID 145405834
N-[2-[[6-(2-aminoethylamino)-9-propan-2-ylpurin-2-yl]amino]-4-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]formamide
CID 145405842
N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]formamide
CID 145405843
N-[2-[2-acetamido-5-(5-phenyl-1,3,4-oxadiazol-2-yl)anilino]-9-[(2R,5R)-5-(deuteriomethyl)-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyoxolan-2-yl]purin-6-yl]benzamide
CID 153436050

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(2-aminoethylamino)-9-propan-2-ylpurin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[[5-(aminomethyl)-4-oxo-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-oxo-9-propan-2-yl-1H-purin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[2-[[6-(2-aminoethylamino)-9-propan-2-ylpurin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[[5-(aminomethyl)-4-oxo-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-oxo-9-propan-2-yl-1H-purin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide (CID 159689155) is N-[2-[[6-(2-aminoethylamino)-9-propan-2-ylpurin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[[5-(aminomethyl)-4-oxo-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-oxo-9-propan-2-yl-1H-purin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-[[6-(2-aminoethylamino)-9-propan-2-ylpurin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[[5-(aminomethyl)-4-oxo-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-oxo-9-propan-2-yl-1H-purin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[2-[[6-(2-aminoethylamino)-9-propan-2-ylpurin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[[5-(aminomethyl)-4-oxo-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-oxo-9-propan-2-yl-1H-purin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1Nc1nc(N)c2ncn(C(C)C)c2n1.CC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1Nc1nc(NCCN)c2ncn(C(C)C)c2n1.CC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1Nc1nc2c(c(CN)cn2C(C)C)c(=O)[nH]1.CC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1Nc1nc2c(ncn2C(C)C)c(=O)[nH]1.
What is the InChIKey of N-[2-[[6-(2-aminoethylamino)-9-propan-2-ylpurin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[[5-(aminomethyl)-4-oxo-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-oxo-9-propan-2-yl-1H-purin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The InChIKey is MWEMUVCADCGMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N10O2.C26H26N8O3.C24H23N9O2.C24H22N8O3/c1-15(2)36-14-29-21-22(28-12-11-27)32-26(33-23(21)36)31-20-13-18(9-10-19(20)30-16(3)37)25-35-34-24(38-25)17-7-5-4-6-8-17;1-14(2)34-13-18(12-27)21-22(34)30-26(31-23(21)36)29-20-11-17(9-10-19(20)28-15(3)35)25-33-32-24(37-25)16-7-5-4-6-8-16;1-13(2)33-12-26-19-20(25)29-24(30-21(19)33)28-18-11-16(9-10-17(18)27-14(3)34)23-32-31-22(35-23)15-7-5-4-6-8-15;1-13(2)32-12-25-19-20(32)28-24(29-21(19)34)27-18-11-16(9-10-17(18)26-14(3)33)23-31-30-22(35-23)15-7-5-4-6-8-15/h4-10,13-15H,11-12,27H2,1-3H3,(H,30,37)(H2,28,31,32,33);4-11,13-14H,12,27H2,1-3H3,(H,28,35)(H2,29,30,31,36);4-13H,1-3H3,(H,27,34)(H3,25,28,29,30);4-13H,1-3H3,(H,26,33)(H2,27,28,29,34).
What are the key properties of N-[2-[[6-(2-aminoethylamino)-9-propan-2-ylpurin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[[5-(aminomethyl)-4-oxo-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-oxo-9-propan-2-yl-1H-purin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
N-[2-[[6-(2-aminoethylamino)-9-propan-2-ylpurin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[[5-(aminomethyl)-4-oxo-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-oxo-9-propan-2-yl-1H-purin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide has a molecular weight of 1951.13 g/mol, XLogP of 16.91, 28 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(2-aminoethylamino)-9-propan-2-ylpurin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[[5-(aminomethyl)-4-oxo-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-amino-9-propan-2-ylpurin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide;N-[2-[(6-oxo-9-propan-2-yl-1H-purin-2-yl)amino]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 159689155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).