2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide

C73H56Br2F9N25O4 — CID 162074277

IUPAC2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nc3nc[nH]c23)ccn1.COc1ccc(Cn2cnc3c(Nc4ccnc(Br)c4)nc(-c4cccc(C(F)(F)F)n4)nc32)cc1.COc1ccc(Cn2cnc3c(Nc4ccnc(NC(C)=O)c4)nc(-c4cccc(C(F)(F)F)n4)nc32)cc1.Nc1ccnc(Br)c1
InChIInChI=1S/C26H21F3N8O2.C24H17BrF3N7O.C18H13F3N8O.C5H5BrN2/c1-15(38)32-21-12-17(10-11-30-21)33-24-22-25(37(14-31-22)13-16-6-8-18(39-2)9-7-16)36-23(35-24)19-4-3-5-20(34-19)26(27,28)29;1-36-16-7-5-14(6-8-16)12-35-13-30-20-22(31-15-9-10-29-19(25)11-15)33-21(34-23(20)35)17-3-2-4-18(32-17)24(26,27)28;1-9(30)25-13-7-10(5-6-22-13)26-17-14-16(24-8-23-14)28-15(29-17)11-3-2-4-12(27-11)18(19,20)21;6-5-3-4(7)1-2-8-5/h3-12,14H,13H2,1-2H3,(H2,30,32,33,35,36,38);2-11,13H,12H2,1H3,(H,29,31,33,34);2-8H,1H3,(H3,22,23,24,25,26,28,29,30);1-3H,(H2,7,8)
InChIKeyZBMPOHVJHFMKSU-UHFFFAOYSA-N
MW1678.21 g/mol
LogP15.88
Rot. Bonds17

About 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide

2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide (PubChem CID 162074277) has the molecular formula C73H56Br2F9N25O4 and a molecular weight of 1678.21 g/mol. Its IUPAC name is 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide
PubChem CID162074277
Molecular FormulaC73H56Br2F9N25O4
Molecular Weight1678.21 g/mol
Exact Mass1675.32
IUPAC Name2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nc3nc[nH]c23)ccn1.COc1ccc(Cn2cnc3c(Nc4ccnc(Br)c4)nc(-c4cccc(C(F)(F)F)n4)nc32)cc1.COc1ccc(Cn2cnc3c(Nc4ccnc(NC(C)=O)c4)nc(-c4cccc(C(F)(F)F)n4)nc32)cc1.Nc1ccnc(Br)c1
InChIInChI=1S/C26H21F3N8O2.C24H17BrF3N7O.C18H13F3N8O.C5H5BrN2/c1-15(38)32-21-12-17(10-11-30-21)33-24-22-25(37(14-31-22)13-16-6-8-18(39-2)9-7-16)36-23(35-24)19-4-3-5-20(34-19)26(27,28)29;1-36-16-7-5-14(6-8-16)12-35-13-30-20-22(31-15-9-10-29-19(25)11-15)33-21(34-23(20)35)17-3-2-4-18(32-17)24(26,27)28;1-9(30)25-13-7-10(5-6-22-13)26-17-14-16(24-8-23-14)28-15(29-17)11-3-2-4-12(27-11)18(19,20)21;6-5-3-4(7)1-2-8-5/h3-12,14H,13H2,1-2H3,(H2,30,32,33,35,36,38);2-11,13H,12H2,1H3,(H,29,31,33,34);2-8H,1H3,(H3,22,23,24,25,26,28,29,30);1-3H,(H2,7,8)
InChIKeyZBMPOHVJHFMKSU-UHFFFAOYSA-N
XLogP15.88
TPSA370.66 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001678.21
LogP ≤ 515.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide with MolForge

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Related Compounds

6-Bromo-2-(4-methoxyphenyl)-7-(4-(pyridin-3-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46866784
6-Bromo-2-(4-methoxyphenyl)-7-(4-((1-methyl-1H-imidazol-2-yl)methyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46866895
6-bromo-2-(4-methoxyphenyl)-7-(4-(pyridin-4-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46868651
6-Bromo-2-(4-methoxyphenyl)-7-(4-((6-(trifluoromethyl)pyridin-3-yl)methyl)piperazin-1-yl)-3h-imidazo[4,5-b]pyridine
CID 57897265
6-bromo-2-[4-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
CID 87735896
N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylpteridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylpteridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 88026636
N-[2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-methylpteridin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pteridin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 88027550
3-Phenyl-2-[2,2,2-trifluoro-1-[[9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]ethyl]pyrrolo[1,2-a][1,3,5]triazin-4-one
CID 90200264
N-[4-[[2-[6-(difluoromethyl)pyridin-2-yl]-9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]-3-fluoropyridin-2-yl]acetamide
CID 126622303
N-(2-bromopyridin-4-yl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)pyridin-2-yl]purin-6-amine
CID 126622310
4,4,4-trifluoro-N-[4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)pyridin-2-yl]purin-6-yl]amino]pyridin-2-yl]butanamide
CID 126622343
N-[5-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-8-methyl-2-[6-(trifluoromethyl)pyridin-2-yl]purin-6-yl]amino]pyridin-2-yl]acetamide
CID 126622353

Frequently Asked Questions

What is the IUPAC name of 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide?
The IUPAC name of 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide (CID 162074277) is 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nc3nc[nH]c23)ccn1.COc1ccc(Cn2cnc3c(Nc4ccnc(Br)c4)nc(-c4cccc(C(F)(F)F)n4)nc32)cc1.COc1ccc(Cn2cnc3c(Nc4ccnc(NC(C)=O)c4)nc(-c4cccc(C(F)(F)F)n4)nc32)cc1.Nc1ccnc(Br)c1.
What is the InChIKey of 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is ZBMPOHVJHFMKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N8O2.C24H17BrF3N7O.C18H13F3N8O.C5H5BrN2/c1-15(38)32-21-12-17(10-11-30-21)33-24-22-25(37(14-31-22)13-16-6-8-18(39-2)9-7-16)36-23(35-24)19-4-3-5-20(34-19)26(27,28)29;1-36-16-7-5-14(6-8-16)12-35-13-30-20-22(31-15-9-10-29-19(25)11-15)33-21(34-23(20)35)17-3-2-4-18(32-17)24(26,27)28;1-9(30)25-13-7-10(5-6-22-13)26-17-14-16(24-8-23-14)28-15(29-17)11-3-2-4-12(27-11)18(19,20)21;6-5-3-4(7)1-2-8-5/h3-12,14H,13H2,1-2H3,(H2,30,32,33,35,36,38);2-11,13H,12H2,1H3,(H,29,31,33,34);2-8H,1H3,(H3,22,23,24,25,26,28,29,30);1-3H,(H2,7,8).
What are the key properties of 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide?
2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 1678.21 g/mol, XLogP of 15.88, 17 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 162074277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).