2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[5-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide

C73H52Cl2F13N25O4 — CID 159025204

IUPAC2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[5-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[5-fluoro-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)c(F)cn1.COc1ccc(Cn2cnc3c(Nc4cc(Cl)ncc4F)nc(-c4cccc(C(F)(F)F)n4)nc32)cc1.COc1ccc(Cn2cnc3c(Nc4cc(NC(C)=O)ncc4F)nc(-c4cccc(C(F)(F)F)n4)nc32)cc1.Nc1cc(Cl)ncc1F
InChIInChI=1S/C26H20F4N8O2.C24H16ClF4N7O.C18H12F4N8O.C5H4ClFN2/c1-14(39)33-21-10-19(17(27)11-31-21)35-24-22-25(38(13-32-22)12-15-6-8-16(40-2)9-7-15)37-23(36-24)18-4-3-5-20(34-18)26(28,29)30;1-37-14-7-5-13(6-8-14)11-36-12-31-20-22(33-17-9-19(25)30-10-15(17)26)34-21(35-23(20)36)16-3-2-4-18(32-16)24(27,28)29;1-8(31)26-13-5-11(9(19)6-23-13)28-17-14-16(25-7-24-14)29-15(30-17)10-3-2-4-12(27-10)18(20,21)22;6-5-1-4(8)3(7)2-9-5/h3-11,13H,12H2,1-2H3,(H2,31,33,35,36,37,39);2-10,12H,11H2,1H3,(H,30,33,34,35);2-7H,1H3,(H3,23,24,25,26,28,29,30,31);1-2H,(H2,8,9)
InChIKeyJUESFVVMNOFDLV-UHFFFAOYSA-N
MW1661.27 g/mol
LogP16.22
Rot. Bonds17

About 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[5-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide

2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[5-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide (PubChem CID 159025204) has the molecular formula C73H52Cl2F13N25O4 and a molecular weight of 1661.27 g/mol. Its IUPAC name is 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[5-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[5-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide
PubChem CID159025204
Molecular FormulaC73H52Cl2F13N25O4
Molecular Weight1661.27 g/mol
Exact Mass1659.38
IUPAC Name2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[5-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[5-fluoro-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)c(F)cn1.COc1ccc(Cn2cnc3c(Nc4cc(Cl)ncc4F)nc(-c4cccc(C(F)(F)F)n4)nc32)cc1.COc1ccc(Cn2cnc3c(Nc4cc(NC(C)=O)ncc4F)nc(-c4cccc(C(F)(F)F)n4)nc32)cc1.Nc1cc(Cl)ncc1F
InChIInChI=1S/C26H20F4N8O2.C24H16ClF4N7O.C18H12F4N8O.C5H4ClFN2/c1-14(39)33-21-10-19(17(27)11-31-21)35-24-22-25(38(13-32-22)12-15-6-8-16(40-2)9-7-15)37-23(36-24)18-4-3-5-20(34-18)26(28,29)30;1-37-14-7-5-13(6-8-14)11-36-12-31-20-22(33-17-9-19(25)30-10-15(17)26)34-21(35-23(20)36)16-3-2-4-18(32-16)24(27,28)29;1-8(31)26-13-5-11(9(19)6-23-13)28-17-14-16(25-7-24-14)29-15(30-17)10-3-2-4-12(27-10)18(20,21)22;6-5-1-4(8)3(7)2-9-5/h3-11,13H,12H2,1-2H3,(H2,31,33,35,36,37,39);2-10,12H,11H2,1H3,(H,30,33,34,35);2-7H,1H3,(H3,23,24,25,26,28,29,30,31);1-2H,(H2,8,9)
InChIKeyJUESFVVMNOFDLV-UHFFFAOYSA-N
XLogP16.22
TPSA370.66 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001661.27
LogP ≤ 516.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[5-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]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

1-[1-[8-(2-Chlorophenyl)-9-[6-(difluoromethoxy)pyridin-3-yl]purin-6-yl]piperidin-4-yl]-3-(cyclohexylmethyl)urea
CID 135156137
1-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-[6-(difluoromethoxy)pyridin-3-yl]urea
CID 135156251
4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-[6-(difluoromethoxy)pyridin-3-yl]piperazine-1-carboxamide
CID 135156278
1-[1-[8-(2-Chlorophenyl)-9-[6-(difluoromethoxy)pyridin-3-yl]purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea
CID 135156443
1-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-[6-(difluoromethoxy)-3-pyridinyl]urea
CID 155514667
US11420970, Example 181
CID 156073161
US11420970, Example 187
CID 156073176
US11420970, Example 188
CID 156073179
US11420970, Example 228
CID 156073201
US11420970, Example 216
CID 156073282
US11420970, Example 233
CID 156073320
US11420970, Example 242
CID 156073388

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[5-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide?
The IUPAC name of 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[5-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide (CID 159025204) is 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[5-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[5-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[5-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[5-fluoro-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)c(F)cn1.COc1ccc(Cn2cnc3c(Nc4cc(Cl)ncc4F)nc(-c4cccc(C(F)(F)F)n4)nc32)cc1.COc1ccc(Cn2cnc3c(Nc4cc(NC(C)=O)ncc4F)nc(-c4cccc(C(F)(F)F)n4)nc32)cc1.Nc1cc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[5-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is JUESFVVMNOFDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N8O2.C24H16ClF4N7O.C18H12F4N8O.C5H4ClFN2/c1-14(39)33-21-10-19(17(27)11-31-21)35-24-22-25(38(13-32-22)12-15-6-8-16(40-2)9-7-15)37-23(36-24)18-4-3-5-20(34-18)26(28,29)30;1-37-14-7-5-13(6-8-14)11-36-12-31-20-22(33-17-9-19(25)30-10-15(17)26)34-21(35-23(20)36)16-3-2-4-18(32-16)24(27,28)29;1-8(31)26-13-5-11(9(19)6-23-13)28-17-14-16(25-7-24-14)29-15(30-17)10-3-2-4-12(27-10)18(20,21)22;6-5-1-4(8)3(7)2-9-5/h3-11,13H,12H2,1-2H3,(H2,31,33,35,36,37,39);2-10,12H,11H2,1H3,(H,30,33,34,35);2-7H,1H3,(H3,23,24,25,26,28,29,30,31);1-2H,(H2,8,9).
What are the key properties of 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[5-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide?
2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[5-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 1661.27 g/mol, XLogP of 16.22, 17 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[5-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 159025204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).