2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-amine;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide

C73H55Cl2F10N25O4 — CID 161194798

IUPAC2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-amine;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide
SMILESCC(=O)Nc1nccc(Nc2nc(-c3cccc(C(F)F)n3)nc3nc[nH]c23)c1F.COc1ccc(Cn2cnc3c(Nc4ccnc(Cl)c4F)nc(-c4cccc(C(F)F)n4)nc32)cc1.COc1ccc(Cn2cnc3c(Nc4ccnc(NC(C)=O)c4F)nc(-c4cccc(C(F)F)n4)nc32)cc1.Nc1ccnc(Cl)c1F
InChIInChI=1S/C26H21F3N8O2.C24H17ClF3N7O.C18H13F3N8O.C5H4ClFN2/c1-14(38)32-24-20(27)17(10-11-30-24)34-25-21-26(36-23(35-25)19-5-3-4-18(33-19)22(28)29)37(13-31-21)12-15-6-8-16(39-2)9-7-15;1-36-14-7-5-13(6-8-14)11-35-12-30-19-23(32-15-9-10-29-20(25)18(15)26)33-22(34-24(19)35)17-4-2-3-16(31-17)21(27)28;1-8(30)25-16-12(19)9(5-6-22-16)27-18-13-17(24-7-23-13)28-15(29-18)11-4-2-3-10(26-11)14(20)21;6-5-4(7)3(8)1-2-9-5/h3-11,13,22H,12H2,1-2H3,(H2,30,32,34,35,36,38);2-10,12,21H,11H2,1H3,(H,29,32,33,34);2-7,14H,1H3,(H3,22,23,24,25,27,28,29,30);1-2H,(H2,8,9)
InChIKeyUUEWAHHRSYFITD-UHFFFAOYSA-N
MW1607.30 g/mol
LogP15.98
Rot. Bonds20

About 2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-amine;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide

2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-amine;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide (PubChem CID 161194798) has the molecular formula C73H55Cl2F10N25O4 and a molecular weight of 1607.30 g/mol. Its IUPAC name is 2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-amine;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-amine;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide
PubChem CID161194798
Molecular FormulaC73H55Cl2F10N25O4
Molecular Weight1607.30 g/mol
Exact Mass1605.41
IUPAC Name2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-amine;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide
SMILESCC(=O)Nc1nccc(Nc2nc(-c3cccc(C(F)F)n3)nc3nc[nH]c23)c1F.COc1ccc(Cn2cnc3c(Nc4ccnc(Cl)c4F)nc(-c4cccc(C(F)F)n4)nc32)cc1.COc1ccc(Cn2cnc3c(Nc4ccnc(NC(C)=O)c4F)nc(-c4cccc(C(F)F)n4)nc32)cc1.Nc1ccnc(Cl)c1F
InChIInChI=1S/C26H21F3N8O2.C24H17ClF3N7O.C18H13F3N8O.C5H4ClFN2/c1-14(38)32-24-20(27)17(10-11-30-24)34-25-21-26(36-23(35-25)19-5-3-4-18(33-19)22(28)29)37(13-31-21)12-15-6-8-16(39-2)9-7-15;1-36-14-7-5-13(6-8-14)11-35-12-30-19-23(32-15-9-10-29-20(25)18(15)26)33-22(34-24(19)35)17-4-2-3-16(31-17)21(27)28;1-8(30)25-16-12(19)9(5-6-22-16)27-18-13-17(24-7-23-13)28-15(29-18)11-4-2-3-10(26-11)14(20)21;6-5-4(7)3(8)1-2-9-5/h3-11,13,22H,12H2,1-2H3,(H2,30,32,34,35,36,38);2-10,12,21H,11H2,1H3,(H,29,32,33,34);2-7,14H,1H3,(H3,22,23,24,25,27,28,29,30);1-2H,(H2,8,9)
InChIKeyUUEWAHHRSYFITD-UHFFFAOYSA-N
XLogP15.98
TPSA370.66 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001607.30
LogP ≤ 515.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-amine;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-amine;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide?
The IUPAC name of 2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-amine;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide (CID 161194798) is 2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-amine;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide.
What is the SMILES notation for 2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-amine;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide?
The canonical SMILES for 2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-amine;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide is CC(=O)Nc1nccc(Nc2nc(-c3cccc(C(F)F)n3)nc3nc[nH]c23)c1F.COc1ccc(Cn2cnc3c(Nc4ccnc(Cl)c4F)nc(-c4cccc(C(F)F)n4)nc32)cc1.COc1ccc(Cn2cnc3c(Nc4ccnc(NC(C)=O)c4F)nc(-c4cccc(C(F)F)n4)nc32)cc1.Nc1ccnc(Cl)c1F.
What is the InChIKey of 2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-amine;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide?
The InChIKey is UUEWAHHRSYFITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N8O2.C24H17ClF3N7O.C18H13F3N8O.C5H4ClFN2/c1-14(38)32-24-20(27)17(10-11-30-24)34-25-21-26(36-23(35-25)19-5-3-4-18(33-19)22(28)29)37(13-31-21)12-15-6-8-16(39-2)9-7-15;1-36-14-7-5-13(6-8-14)11-35-12-30-19-23(32-15-9-10-29-20(25)18(15)26)33-22(34-24(19)35)17-4-2-3-16(31-17)21(27)28;1-8(30)25-16-12(19)9(5-6-22-16)27-18-13-17(24-7-23-13)28-15(29-18)11-4-2-3-10(26-11)14(20)21;6-5-4(7)3(8)1-2-9-5/h3-11,13,22H,12H2,1-2H3,(H2,30,32,34,35,36,38);2-10,12,21H,11H2,1H3,(H,29,32,33,34);2-7,14H,1H3,(H3,22,23,24,25,27,28,29,30);1-2H,(H2,8,9).
What are the key properties of 2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-amine;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide?
2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-amine;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide has a molecular weight of 1607.30 g/mol, XLogP of 15.98, 20 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoropyridin-4-amine;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-amine;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-9-[(4-methoxyphenyl)methyl]purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-3-fluoro-2-pyridinyl]acetamide is sourced from PubChem (CID 161194798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).