N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide

C171H187F10N47O20 — CID 157298021

IUPACN-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC=CCN(C(=O)c1ccc(C(F)(F)F)nc1)c1ccc(-c2nc3c([nH]2)c(=O)n(C2CC2)c(=O)n3CCC)cn1.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCN4CCCCC4)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCN4CCCCC4)C(=O)c4ccc(F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCN4CCCCC4)C(=O)c4cccnc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCN4CCOCC4)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCN4CCOCC4)C(=O)c4cccnc4)nc3)nc21
InChIInChI=1S/C30H33F3N8O3.C29H31F3N8O4.C29H33FN8O3.C29H34N8O3.C28H32N8O4.C26H24F3N7O3/c1-2-12-40-26-24(28(43)41(29(40)44)21-8-9-21)36-25(37-26)19-7-11-23(35-17-19)39(16-15-38-13-4-3-5-14-38)27(42)20-6-10-22(34-18-20)30(31,32)33;1-2-9-39-25-23(27(42)40(28(39)43)20-5-6-20)35-24(36-25)18-4-8-22(34-16-18)38(11-10-37-12-14-44-15-13-37)26(41)19-3-7-21(33-17-19)29(30,31)32;1-2-12-37-26-24(28(40)38(29(37)41)21-8-9-21)33-25(34-26)19-7-11-23(32-17-19)36(16-15-35-13-4-3-5-14-35)27(39)20-6-10-22(30)31-18-20;1-2-13-36-26-24(28(39)37(29(36)40)22-9-10-22)32-25(33-26)20-8-11-23(31-19-20)35(17-16-34-14-4-3-5-15-34)27(38)21-7-6-12-30-18-21;1-2-10-35-25-23(27(38)36(28(35)39)21-6-7-21)31-24(32-25)19-5-8-22(30-18-19)34(12-11-33-13-15-40-16-14-33)26(37)20-4-3-9-29-17-20;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/h6-7,10-11,17-18,21H,2-5,8-9,12-16H2,1H3,(H,36,37);3-4,7-8,16-17,20H,2,5-6,9-15H2,1H3,(H,35,36);6-7,10-11,17-18,21H,2-5,8-9,12-16H2,1H3,(H,33,34);6-8,11-12,18-19,22H,2-5,9-10,13-17H2,1H3,(H,32,33);3-5,8-9,17-18,21H,2,6-7,10-16H2,1H3,(H,31,32);3,5-6,9-10,13-14,17H,1,4,7-8,11-12H2,2H3,(H,32,33)
InChIKeyBBOLFFFDDNSUJJ-UHFFFAOYSA-N
MW3410.67 g/mol
LogP19.91
Rot. Bonds53

About N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 157298021) has the molecular formula C171H187F10N47O20 and a molecular weight of 3410.67 g/mol. Its IUPAC name is N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID157298021
Molecular FormulaC171H187F10N47O20
Molecular Weight3410.67 g/mol
Exact Mass3408.49
IUPAC NameN-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC=CCN(C(=O)c1ccc(C(F)(F)F)nc1)c1ccc(-c2nc3c([nH]2)c(=O)n(C2CC2)c(=O)n3CCC)cn1.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCN4CCCCC4)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCN4CCCCC4)C(=O)c4ccc(F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCN4CCCCC4)C(=O)c4cccnc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCN4CCOCC4)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCN4CCOCC4)C(=O)c4cccnc4)nc3)nc21
InChIInChI=1S/C30H33F3N8O3.C29H31F3N8O4.C29H33FN8O3.C29H34N8O3.C28H32N8O4.C26H24F3N7O3/c1-2-12-40-26-24(28(43)41(29(40)44)21-8-9-21)36-25(37-26)19-7-11-23(35-17-19)39(16-15-38-13-4-3-5-14-38)27(42)20-6-10-22(34-18-20)30(31,32)33;1-2-9-39-25-23(27(42)40(28(39)43)20-5-6-20)35-24(36-25)18-4-8-22(34-16-18)38(11-10-37-12-14-44-15-13-37)26(41)19-3-7-21(33-17-19)29(30,31)32;1-2-12-37-26-24(28(40)38(29(37)41)21-8-9-21)33-25(34-26)19-7-11-23(32-17-19)36(16-15-35-13-4-3-5-14-35)27(39)20-6-10-22(30)31-18-20;1-2-13-36-26-24(28(39)37(29(36)40)22-9-10-22)32-25(33-26)20-8-11-23(31-19-20)35(17-16-34-14-4-3-5-15-34)27(38)21-7-6-12-30-18-21;1-2-10-35-25-23(27(38)36(28(35)39)21-6-7-21)31-24(32-25)19-5-8-22(30-18-19)34(12-11-33-13-15-40-16-14-33)26(37)20-4-3-9-29-17-20;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/h6-7,10-11,17-18,21H,2-5,8-9,12-16H2,1H3,(H,36,37);3-4,7-8,16-17,20H,2,5-6,9-15H2,1H3,(H,35,36);6-7,10-11,17-18,21H,2-5,8-9,12-16H2,1H3,(H,33,34);6-8,11-12,18-19,22H,2-5,9-10,13-17H2,1H3,(H,32,33);3-5,8-9,17-18,21H,2,6-7,10-16H2,1H3,(H,31,32);3,5-6,9-10,13-14,17H,1,4,7-8,11-12H2,2H3,(H,32,33)
InChIKeyBBOLFFFDDNSUJJ-UHFFFAOYSA-N
XLogP19.91
TPSA747.28 Ų
H-Bond Donors6
H-Bond Acceptors55
Rotatable Bonds53
Heavy Atoms248
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003410.67
LogP ≤ 519.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

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

Analyze N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide 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]-6-fluoro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 157298021) is N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide is C=CCN(C(=O)c1ccc(C(F)(F)F)nc1)c1ccc(-c2nc3c([nH]2)c(=O)n(C2CC2)c(=O)n3CCC)cn1.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCN4CCCCC4)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCN4CCCCC4)C(=O)c4ccc(F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCN4CCCCC4)C(=O)c4cccnc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCN4CCOCC4)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CCN4CCOCC4)C(=O)c4cccnc4)nc3)nc21.
What is the InChIKey of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is BBOLFFFDDNSUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N8O3.C29H31F3N8O4.C29H33FN8O3.C29H34N8O3.C28H32N8O4.C26H24F3N7O3/c1-2-12-40-26-24(28(43)41(29(40)44)21-8-9-21)36-25(37-26)19-7-11-23(35-17-19)39(16-15-38-13-4-3-5-14-38)27(42)20-6-10-22(34-18-20)30(31,32)33;1-2-9-39-25-23(27(42)40(28(39)43)20-5-6-20)35-24(36-25)18-4-8-22(34-16-18)38(11-10-37-12-14-44-15-13-37)26(41)19-3-7-21(33-17-19)29(30,31)32;1-2-12-37-26-24(28(40)38(29(37)41)21-8-9-21)33-25(34-26)19-7-11-23(32-17-19)36(16-15-35-13-4-3-5-14-35)27(39)20-6-10-22(30)31-18-20;1-2-13-36-26-24(28(39)37(29(36)40)22-9-10-22)32-25(33-26)20-8-11-23(31-19-20)35(17-16-34-14-4-3-5-15-34)27(38)21-7-6-12-30-18-21;1-2-10-35-25-23(27(38)36(28(35)39)21-6-7-21)31-24(32-25)19-5-8-22(30-18-19)34(12-11-33-13-15-40-16-14-33)26(37)20-4-3-9-29-17-20;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/h6-7,10-11,17-18,21H,2-5,8-9,12-16H2,1H3,(H,36,37);3-4,7-8,16-17,20H,2,5-6,9-15H2,1H3,(H,35,36);6-7,10-11,17-18,21H,2-5,8-9,12-16H2,1H3,(H,33,34);6-8,11-12,18-19,22H,2-5,9-10,13-17H2,1H3,(H,32,33);3-5,8-9,17-18,21H,2,6-7,10-16H2,1H3,(H,31,32);3,5-6,9-10,13-14,17H,1,4,7-8,11-12H2,2H3,(H,32,33).
What are the key properties of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 3410.67 g/mol, XLogP of 19.91, 53 rotatable bonds, 6 hydrogen bond donors, and 55 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]-6-fluoro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 157298021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).