N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-propyl-6-(trifluoromethyl)pyridine-3-carboxamide;1,3-diethyl-8-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione;1,3-dipropyl-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione

C158H158F13N49O22 — CID 158862701

IUPACN-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-propyl-6-(trifluoromethyl)pyridine-3-carboxamide;1,3-diethyl-8-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione;1,3-dipropyl-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione
SMILESCCCN(C(=O)c1ccc(C(F)(F)F)nc1)c1ccc(-c2nc3c([nH]2)c(=O)n(C2CC2)c(=O)n3CCC)cn1.CCCn1c(=O)c2[nH]c(-c3ccc4nncn4c3)nc2n(CCC)c1=O.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CC)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(F)nc4)nc3)nc21.CCn1c(=O)c2[nH]c(-c3ccc4n[nH]c(=O)n4c3)nc2n(CC)c1=O
InChIInChI=1S/C26H26F3N7O4.C26H26F3N7O3.C25H24F3N7O3.C25H26FN7O4.C24H22F3N7O3.C17H19N7O2.C15H15N7O3/c1-3-10-35-22-20(24(38)36(25(35)39)17-6-7-17)32-21(33-22)15-5-9-19(31-13-15)34(11-12-40-2)23(37)16-4-8-18(30-14-16)26(27,28)29;1-3-11-34(23(37)16-5-9-18(30-14-16)26(27,28)29)19-10-6-15(13-31-19)21-32-20-22(33-21)35(12-4-2)25(39)36(24(20)38)17-7-8-17;1-3-11-34-21-19(23(37)35(24(34)38)16-7-8-16)31-20(32-21)14-6-10-18(30-12-14)33(4-2)22(36)15-5-9-17(29-13-15)25(26,27)28;1-3-10-32-22-20(24(35)33(25(32)36)17-6-7-17)29-21(30-22)15-5-9-19(28-13-15)31(11-12-37-2)23(34)16-4-8-18(26)27-14-16;1-3-10-33-20-18(22(36)34(23(33)37)15-6-7-15)30-19(31-20)13-5-9-17(29-11-13)32(2)21(35)14-4-8-16(28-12-14)24(25,26)27;1-3-7-23-15-13(16(25)24(8-4-2)17(23)26)19-14(20-15)11-5-6-12-21-18-10-22(12)9-11;1-3-20-12-10(13(23)21(4-2)15(20)25)16-11(17-12)8-5-6-9-18-19-14(24)22(9)7-8/h4-5,8-9,13-14,17H,3,6-7,10-12H2,1-2H3,(H,32,33);5-6,9-10,13-14,17H,3-4,7-8,11-12H2,1-2H3,(H,32,33);5-6,9-10,12-13,16H,3-4,7-8,11H2,1-2H3,(H,31,32);4-5,8-9,13-14,17H,3,6-7,10-12H2,1-2H3,(H,29,30);4-5,8-9,11-12,15H,3,6-7,10H2,1-2H3,(H,30,31);5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,20);5-7H,3-4H2,1-2H3,(H,16,17)(H,19,24)
InChIKeyJAVNULNSDOXIFF-UHFFFAOYSA-N
MW3342.30 g/mol
LogP18.59
Rot. Bonds47

About N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-propyl-6-(trifluoromethyl)pyridine-3-carboxamide;1,3-diethyl-8-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione;1,3-dipropyl-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione

N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-propyl-6-(trifluoromethyl)pyridine-3-carboxamide;1,3-diethyl-8-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione;1,3-dipropyl-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione (PubChem CID 158862701) has the molecular formula C158H158F13N49O22 and a molecular weight of 3342.30 g/mol. Its IUPAC name is N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-propyl-6-(trifluoromethyl)pyridine-3-carboxamide;1,3-diethyl-8-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione;1,3-dipropyl-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione.

Molecular Properties

Compound NameN-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-propyl-6-(trifluoromethyl)pyridine-3-carboxamide;1,3-diethyl-8-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione;1,3-dipropyl-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione
PubChem CID158862701
Molecular FormulaC158H158F13N49O22
Molecular Weight3342.30 g/mol
Exact Mass3340.25
IUPAC NameN-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-propyl-6-(trifluoromethyl)pyridine-3-carboxamide;1,3-diethyl-8-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione;1,3-dipropyl-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione
SMILESCCCN(C(=O)c1ccc(C(F)(F)F)nc1)c1ccc(-c2nc3c([nH]2)c(=O)n(C2CC2)c(=O)n3CCC)cn1.CCCn1c(=O)c2[nH]c(-c3ccc4nncn4c3)nc2n(CCC)c1=O.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CC)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(F)nc4)nc3)nc21.CCn1c(=O)c2[nH]c(-c3ccc4n[nH]c(=O)n4c3)nc2n(CC)c1=O
InChIInChI=1S/C26H26F3N7O4.C26H26F3N7O3.C25H24F3N7O3.C25H26FN7O4.C24H22F3N7O3.C17H19N7O2.C15H15N7O3/c1-3-10-35-22-20(24(38)36(25(35)39)17-6-7-17)32-21(33-22)15-5-9-19(31-13-15)34(11-12-40-2)23(37)16-4-8-18(30-14-16)26(27,28)29;1-3-11-34(23(37)16-5-9-18(30-14-16)26(27,28)29)19-10-6-15(13-31-19)21-32-20-22(33-21)35(12-4-2)25(39)36(24(20)38)17-7-8-17;1-3-11-34-21-19(23(37)35(24(34)38)16-7-8-16)31-20(32-21)14-6-10-18(30-12-14)33(4-2)22(36)15-5-9-17(29-13-15)25(26,27)28;1-3-10-32-22-20(24(35)33(25(32)36)17-6-7-17)29-21(30-22)15-5-9-19(28-13-15)31(11-12-37-2)23(34)16-4-8-18(26)27-14-16;1-3-10-33-20-18(22(36)34(23(33)37)15-6-7-15)30-19(31-20)13-5-9-17(29-11-13)32(2)21(35)14-4-8-16(28-12-14)24(25,26)27;1-3-7-23-15-13(16(25)24(8-4-2)17(23)26)19-14(20-15)11-5-6-12-21-18-10-22(12)9-11;1-3-20-12-10(13(23)21(4-2)15(20)25)16-11(17-12)8-5-6-9-18-19-14(24)22(9)7-8/h4-5,8-9,13-14,17H,3,6-7,10-12H2,1-2H3,(H,32,33);5-6,9-10,13-14,17H,3-4,7-8,11-12H2,1-2H3,(H,32,33);5-6,9-10,12-13,16H,3-4,7-8,11H2,1-2H3,(H,31,32);4-5,8-9,13-14,17H,3,6-7,10-12H2,1-2H3,(H,29,30);4-5,8-9,11-12,15H,3,6-7,10H2,1-2H3,(H,30,31);5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,20);5-7H,3-4H2,1-2H3,(H,16,17)(H,19,24)
InChIKeyJAVNULNSDOXIFF-UHFFFAOYSA-N
XLogP18.59
TPSA838.02 Ų
H-Bond Donors8
H-Bond Acceptors58
Rotatable Bonds47
Heavy Atoms242
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003342.30
LogP ≤ 518.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

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

Analyze N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-propyl-6-(trifluoromethyl)pyridine-3-carboxamide;1,3-diethyl-8-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione;1,3-dipropyl-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-propyl-6-(trifluoromethyl)pyridine-3-carboxamide;1,3-diethyl-8-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione;1,3-dipropyl-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione?
The IUPAC name of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-propyl-6-(trifluoromethyl)pyridine-3-carboxamide;1,3-diethyl-8-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione;1,3-dipropyl-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione (CID 158862701) is N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-propyl-6-(trifluoromethyl)pyridine-3-carboxamide;1,3-diethyl-8-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione;1,3-dipropyl-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione.
What is the SMILES notation for N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-propyl-6-(trifluoromethyl)pyridine-3-carboxamide;1,3-diethyl-8-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione;1,3-dipropyl-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione?
The canonical SMILES for N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-propyl-6-(trifluoromethyl)pyridine-3-carboxamide;1,3-diethyl-8-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione;1,3-dipropyl-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione is CCCN(C(=O)c1ccc(C(F)(F)F)nc1)c1ccc(-c2nc3c([nH]2)c(=O)n(C2CC2)c(=O)n3CCC)cn1.CCCn1c(=O)c2[nH]c(-c3ccc4nncn4c3)nc2n(CCC)c1=O.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CC)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccc(F)nc4)nc3)nc21.CCn1c(=O)c2[nH]c(-c3ccc4n[nH]c(=O)n4c3)nc2n(CC)c1=O.
What is the InChIKey of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-propyl-6-(trifluoromethyl)pyridine-3-carboxamide;1,3-diethyl-8-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione;1,3-dipropyl-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione?
The InChIKey is JAVNULNSDOXIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N7O4.C26H26F3N7O3.C25H24F3N7O3.C25H26FN7O4.C24H22F3N7O3.C17H19N7O2.C15H15N7O3/c1-3-10-35-22-20(24(38)36(25(35)39)17-6-7-17)32-21(33-22)15-5-9-19(31-13-15)34(11-12-40-2)23(37)16-4-8-18(30-14-16)26(27,28)29;1-3-11-34(23(37)16-5-9-18(30-14-16)26(27,28)29)19-10-6-15(13-31-19)21-32-20-22(33-21)35(12-4-2)25(39)36(24(20)38)17-7-8-17;1-3-11-34-21-19(23(37)35(24(34)38)16-7-8-16)31-20(32-21)14-6-10-18(30-12-14)33(4-2)22(36)15-5-9-17(29-13-15)25(26,27)28;1-3-10-32-22-20(24(35)33(25(32)36)17-6-7-17)29-21(30-22)15-5-9-19(28-13-15)31(11-12-37-2)23(34)16-4-8-18(26)27-14-16;1-3-10-33-20-18(22(36)34(23(33)37)15-6-7-15)30-19(31-20)13-5-9-17(29-11-13)32(2)21(35)14-4-8-16(28-12-14)24(25,26)27;1-3-7-23-15-13(16(25)24(8-4-2)17(23)26)19-14(20-15)11-5-6-12-21-18-10-22(12)9-11;1-3-20-12-10(13(23)21(4-2)15(20)25)16-11(17-12)8-5-6-9-18-19-14(24)22(9)7-8/h4-5,8-9,13-14,17H,3,6-7,10-12H2,1-2H3,(H,32,33);5-6,9-10,13-14,17H,3-4,7-8,11-12H2,1-2H3,(H,32,33);5-6,9-10,12-13,16H,3-4,7-8,11H2,1-2H3,(H,31,32);4-5,8-9,13-14,17H,3,6-7,10-12H2,1-2H3,(H,29,30);4-5,8-9,11-12,15H,3,6-7,10H2,1-2H3,(H,30,31);5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,20);5-7H,3-4H2,1-2H3,(H,16,17)(H,19,24).
What are the key properties of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-propyl-6-(trifluoromethyl)pyridine-3-carboxamide;1,3-diethyl-8-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione;1,3-dipropyl-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione?
N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-propyl-6-(trifluoromethyl)pyridine-3-carboxamide;1,3-diethyl-8-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione;1,3-dipropyl-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione has a molecular weight of 3342.30 g/mol, XLogP of 18.59, 47 rotatable bonds, 8 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-propyl-6-(trifluoromethyl)pyridine-3-carboxamide;1,3-diethyl-8-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione;1,3-dipropyl-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-purine-2,6-dione is sourced from PubChem (CID 158862701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).