N-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione

C174H184F11N49O25 — CID 159264743

IUPACN-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESC=CCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc2n(CC=C)c1=O.C=CCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(F)nc4)nc3)nc2n(CC=C)c1=O.C=CCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4cccnc4)nc3)nc2n(CC=C)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(CC4CC4)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(F)nc4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N4CCNCC4)nc3)nc2n(CCC)c1=O
InChIInChI=1S/C27H28F3N7O3.C26H28F3N7O4.C26H24F3N7O4.C25H28FN7O4.C25H24FN7O4.C25H25N7O4.C20H27N7O2/c1-3-11-35-23-21(25(39)36(12-4-2)26(35)40)33-22(34-23)17-8-10-20(32-13-17)37(15-16-5-6-16)24(38)18-7-9-19(31-14-18)27(28,29)30;2*1-4-10-35-22-20(24(38)36(11-5-2)25(35)39)32-21(33-22)16-7-9-19(31-14-16)34(12-13-40-3)23(37)17-6-8-18(30-15-17)26(27,28)29;2*1-4-10-32-22-20(24(35)33(11-5-2)25(32)36)29-21(30-22)16-7-9-19(28-14-16)31(12-13-37-3)23(34)17-6-8-18(26)27-15-17;1-4-11-31-22-20(24(34)32(12-5-2)25(31)35)28-21(29-22)17-8-9-19(27-16-17)30(13-14-36-3)23(33)18-7-6-10-26-15-18;1-3-9-26-18-16(19(28)27(10-4-2)20(26)29)23-17(24-18)14-5-6-15(22-13-14)25-11-7-21-8-12-25/h7-10,13-14,16H,3-6,11-12,15H2,1-2H3,(H,33,34);6-9,14-15H,4-5,10-13H2,1-3H3,(H,32,33);4-9,14-15H,1-2,10-13H2,3H3,(H,32,33);6-9,14-15H,4-5,10-13H2,1-3H3,(H,29,30);4-9,14-15H,1-2,10-13H2,3H3,(H,29,30);4-10,15-16H,1-2,11-14H2,3H3,(H,28,29);5-6,13,21H,3-4,7-12H2,1-2H3,(H,23,24)
InChIKeyKWYOLGMEECWROL-UHFFFAOYSA-N
MW3570.68 g/mol
LogP18.67
Rot. Bonds65

About N-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione

N-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione (PubChem CID 159264743) has the molecular formula C174H184F11N49O25 and a molecular weight of 3570.68 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione
PubChem CID159264743
Molecular FormulaC174H184F11N49O25
Molecular Weight3570.68 g/mol
Exact Mass3568.45
IUPAC NameN-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESC=CCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc2n(CC=C)c1=O.C=CCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(F)nc4)nc3)nc2n(CC=C)c1=O.C=CCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4cccnc4)nc3)nc2n(CC=C)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(CC4CC4)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(F)nc4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N4CCNCC4)nc3)nc2n(CCC)c1=O
InChIInChI=1S/C27H28F3N7O3.C26H28F3N7O4.C26H24F3N7O4.C25H28FN7O4.C25H24FN7O4.C25H25N7O4.C20H27N7O2/c1-3-11-35-23-21(25(39)36(12-4-2)26(35)40)33-22(34-23)17-8-10-20(32-13-17)37(15-16-5-6-16)24(38)18-7-9-19(31-14-18)27(28,29)30;2*1-4-10-35-22-20(24(38)36(11-5-2)25(35)39)32-21(33-22)16-7-9-19(31-14-16)34(12-13-40-3)23(37)17-6-8-18(30-15-17)26(27,28)29;2*1-4-10-32-22-20(24(35)33(11-5-2)25(32)36)29-21(30-22)16-7-9-19(28-14-16)31(12-13-37-3)23(34)17-6-8-18(26)27-15-17;1-4-11-31-22-20(24(34)32(12-5-2)25(31)35)28-21(29-22)17-8-9-19(27-16-17)30(13-14-36-3)23(33)18-7-6-10-26-15-18;1-3-9-26-18-16(19(28)27(10-4-2)20(26)29)23-17(24-18)14-5-6-15(22-13-14)25-11-7-21-8-12-25/h7-10,13-14,16H,3-6,11-12,15H2,1-2H3,(H,33,34);6-9,14-15H,4-5,10-13H2,1-3H3,(H,32,33);4-9,14-15H,1-2,10-13H2,3H3,(H,32,33);6-9,14-15H,4-5,10-13H2,1-3H3,(H,29,30);4-9,14-15H,1-2,10-13H2,3H3,(H,29,30);4-10,15-16H,1-2,11-14H2,3H3,(H,28,29);5-6,13,21H,3-4,7-12H2,1-2H3,(H,23,24)
InChIKeyKWYOLGMEECWROL-UHFFFAOYSA-N
XLogP18.67
TPSA859.61 Ų
H-Bond Donors8
H-Bond Acceptors61
Rotatable Bonds65
Heavy Atoms259
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003570.68
LogP ≤ 518.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione?
The IUPAC name of N-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione (CID 159264743) is N-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione?
The canonical SMILES for N-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione is C=CCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc2n(CC=C)c1=O.C=CCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(F)nc4)nc3)nc2n(CC=C)c1=O.C=CCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4cccnc4)nc3)nc2n(CC=C)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(CC4CC4)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(F)nc4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N4CCNCC4)nc3)nc2n(CCC)c1=O.
What is the InChIKey of N-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione?
The InChIKey is KWYOLGMEECWROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N7O3.C26H28F3N7O4.C26H24F3N7O4.C25H28FN7O4.C25H24FN7O4.C25H25N7O4.C20H27N7O2/c1-3-11-35-23-21(25(39)36(12-4-2)26(35)40)33-22(34-23)17-8-10-20(32-13-17)37(15-16-5-6-16)24(38)18-7-9-19(31-14-18)27(28,29)30;2*1-4-10-35-22-20(24(38)36(11-5-2)25(35)39)32-21(33-22)16-7-9-19(31-14-16)34(12-13-40-3)23(37)17-6-8-18(30-15-17)26(27,28)29;2*1-4-10-32-22-20(24(35)33(11-5-2)25(32)36)29-21(30-22)16-7-9-19(28-14-16)31(12-13-37-3)23(34)17-6-8-18(26)27-15-17;1-4-11-31-22-20(24(34)32(12-5-2)25(31)35)28-21(29-22)17-8-9-19(27-16-17)30(13-14-36-3)23(33)18-7-6-10-26-15-18;1-3-9-26-18-16(19(28)27(10-4-2)20(26)29)23-17(24-18)14-5-6-15(22-13-14)25-11-7-21-8-12-25/h7-10,13-14,16H,3-6,11-12,15H2,1-2H3,(H,33,34);6-9,14-15H,4-5,10-13H2,1-3H3,(H,32,33);4-9,14-15H,1-2,10-13H2,3H3,(H,32,33);6-9,14-15H,4-5,10-13H2,1-3H3,(H,29,30);4-9,14-15H,1-2,10-13H2,3H3,(H,29,30);4-10,15-16H,1-2,11-14H2,3H3,(H,28,29);5-6,13,21H,3-4,7-12H2,1-2H3,(H,23,24).
What are the key properties of N-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione?
N-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione has a molecular weight of 3570.68 g/mol, XLogP of 18.67, 65 rotatable bonds, 8 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione is sourced from PubChem (CID 159264743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).