6-chloro-N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;2-chloro-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide;N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-4-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(2-methoxyethyl)-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide;N-methyl-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide

C163H162Cl2F3N49O25 — CID 158600723

IUPAC6-chloro-N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;2-chloro-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide;N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-4-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(2-methoxyethyl)-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide;N-methyl-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESC#CCn1c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4cccnc4)nc3)nc2n(C)c1=O.C#CCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4cccnc4)nc3)nc2n(C)c1=O.C=CCn1c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(Cl)nc4)nc3)nc2n(CC=C)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4cc(Cl)nc(OC)c4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4cccnc4)nc3)nc2n(CCC)c1=O.CCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccncc4)nc3)nc2n(CC)c1=O
InChIInChI=1S/C25H29N7O4.C24H26ClN7O4.C24H24F3N7O3.C23H20ClN7O3.C23H21N7O4.C23H25N7O4.C21H17N7O3/c1-4-11-31-22-20(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;1-5-9-31-21-19(23(34)32(10-6-2)24(31)35)28-20(29-21)14-7-8-17(26-13-14)30(3)22(33)15-11-16(25)27-18(12-15)36-4;1-4-10-33-20-18(22(36)34(11-5-2)23(33)37)30-19(31-20)14-7-9-17(29-12-14)32(3)21(35)15-6-8-16(28-13-15)24(25,26)27;1-4-10-30-20-18(22(33)31(11-5-2)23(30)34)27-19(28-20)14-7-9-17(26-12-14)29(3)21(32)15-6-8-16(24)25-13-15;1-4-10-30-22(32)18-20(28(2)23(30)33)27-19(26-18)15-7-8-17(25-14-15)29(11-12-34-3)21(31)16-6-5-9-24-13-16;1-4-28-20-18(22(32)29(5-2)23(28)33)26-19(27-20)16-6-7-17(25-14-16)30(12-13-34-3)21(31)15-8-10-24-11-9-15;1-4-10-28-20(30)16-18(27(3)21(28)31)25-17(24-16)13-7-8-15(23-12-13)26(2)19(29)14-6-5-9-22-11-14/h6-10,15-16H,4-5,11-14H2,1-3H3,(H,28,29);7-8,11-13H,5-6,9-10H2,1-4H3,(H,28,29);6-9,12-13H,4-5,10-11H2,1-3H3,(H,30,31);4-9,12-13H,1-2,10-11H2,3H3,(H,27,28);1,5-9,13-14H,10-12H2,2-3H3,(H,26,27);6-11,14H,4-5,12-13H2,1-3H3,(H,26,27);1,5-9,11-12H,10H2,2-3H3,(H,24,25)
InChIKeyHVPHBYWAJRQITA-UHFFFAOYSA-N
MW3335.31 g/mol
LogP14.94
Rot. Bonds51

About 6-chloro-N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;2-chloro-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide;N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-4-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(2-methoxyethyl)-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide;N-methyl-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide

6-chloro-N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;2-chloro-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide;N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-4-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(2-methoxyethyl)-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide;N-methyl-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 158600723) has the molecular formula C163H162Cl2F3N49O25 and a molecular weight of 3335.31 g/mol. Its IUPAC name is 6-chloro-N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;2-chloro-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide;N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-4-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(2-methoxyethyl)-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide;N-methyl-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;2-chloro-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide;N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-4-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(2-methoxyethyl)-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide;N-methyl-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID158600723
Molecular FormulaC163H162Cl2F3N49O25
Molecular Weight3335.31 g/mol
Exact Mass3332.22
IUPAC Name6-chloro-N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;2-chloro-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide;N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-4-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(2-methoxyethyl)-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide;N-methyl-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESC#CCn1c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4cccnc4)nc3)nc2n(C)c1=O.C#CCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4cccnc4)nc3)nc2n(C)c1=O.C=CCn1c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(Cl)nc4)nc3)nc2n(CC=C)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4cc(Cl)nc(OC)c4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4cccnc4)nc3)nc2n(CCC)c1=O.CCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccncc4)nc3)nc2n(CC)c1=O
InChIInChI=1S/C25H29N7O4.C24H26ClN7O4.C24H24F3N7O3.C23H20ClN7O3.C23H21N7O4.C23H25N7O4.C21H17N7O3/c1-4-11-31-22-20(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;1-5-9-31-21-19(23(34)32(10-6-2)24(31)35)28-20(29-21)14-7-8-17(26-13-14)30(3)22(33)15-11-16(25)27-18(12-15)36-4;1-4-10-33-20-18(22(36)34(11-5-2)23(33)37)30-19(31-20)14-7-9-17(29-12-14)32(3)21(35)15-6-8-16(28-13-15)24(25,26)27;1-4-10-30-20-18(22(33)31(11-5-2)23(30)34)27-19(28-20)14-7-9-17(26-12-14)29(3)21(32)15-6-8-16(24)25-13-15;1-4-10-30-22(32)18-20(28(2)23(30)33)27-19(26-18)15-7-8-17(25-14-15)29(11-12-34-3)21(31)16-6-5-9-24-13-16;1-4-28-20-18(22(32)29(5-2)23(28)33)26-19(27-20)16-6-7-17(25-14-16)30(12-13-34-3)21(31)15-8-10-24-11-9-15;1-4-10-28-20(30)16-18(27(3)21(28)31)25-17(24-16)13-7-8-15(23-12-13)26(2)19(29)14-6-5-9-22-11-14/h6-10,15-16H,4-5,11-14H2,1-3H3,(H,28,29);7-8,11-13H,5-6,9-10H2,1-4H3,(H,28,29);6-9,12-13H,4-5,10-11H2,1-3H3,(H,30,31);4-9,12-13H,1-2,10-11H2,3H3,(H,27,28);1,5-9,13-14H,10-12H2,2-3H3,(H,26,27);6-11,14H,4-5,12-13H2,1-3H3,(H,26,27);1,5-9,11-12H,10H2,2-3H3,(H,24,25)
InChIKeyHVPHBYWAJRQITA-UHFFFAOYSA-N
XLogP14.94
TPSA868.31 Ų
H-Bond Donors7
H-Bond Acceptors60
Rotatable Bonds51
Heavy Atoms242
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003335.31
LogP ≤ 514.94
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;2-chloro-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide;N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-4-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(2-methoxyethyl)-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide;N-methyl-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;2-chloro-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide;N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-4-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(2-methoxyethyl)-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide;N-methyl-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;2-chloro-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide;N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-4-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(2-methoxyethyl)-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide;N-methyl-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide (CID 158600723) is 6-chloro-N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;2-chloro-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide;N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-4-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(2-methoxyethyl)-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide;N-methyl-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;2-chloro-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide;N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-4-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(2-methoxyethyl)-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide;N-methyl-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;2-chloro-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide;N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-4-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(2-methoxyethyl)-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide;N-methyl-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide is C#CCn1c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4cccnc4)nc3)nc2n(C)c1=O.C#CCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4cccnc4)nc3)nc2n(C)c1=O.C=CCn1c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(Cl)nc4)nc3)nc2n(CC=C)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4cc(Cl)nc(OC)c4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4cccnc4)nc3)nc2n(CCC)c1=O.CCn1c(=O)c2[nH]c(-c3ccc(N(CCOC)C(=O)c4ccncc4)nc3)nc2n(CC)c1=O.
What is the InChIKey of 6-chloro-N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;2-chloro-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide;N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-4-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(2-methoxyethyl)-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide;N-methyl-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is HVPHBYWAJRQITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O4.C24H26ClN7O4.C24H24F3N7O3.C23H20ClN7O3.C23H21N7O4.C23H25N7O4.C21H17N7O3/c1-4-11-31-22-20(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;1-5-9-31-21-19(23(34)32(10-6-2)24(31)35)28-20(29-21)14-7-8-17(26-13-14)30(3)22(33)15-11-16(25)27-18(12-15)36-4;1-4-10-33-20-18(22(36)34(11-5-2)23(33)37)30-19(31-20)14-7-9-17(29-12-14)32(3)21(35)15-6-8-16(28-13-15)24(25,26)27;1-4-10-30-20-18(22(33)31(11-5-2)23(30)34)27-19(28-20)14-7-9-17(26-12-14)29(3)21(32)15-6-8-16(24)25-13-15;1-4-10-30-22(32)18-20(28(2)23(30)33)27-19(26-18)15-7-8-17(25-14-15)29(11-12-34-3)21(31)16-6-5-9-24-13-16;1-4-28-20-18(22(32)29(5-2)23(28)33)26-19(27-20)16-6-7-17(25-14-16)30(12-13-34-3)21(31)15-8-10-24-11-9-15;1-4-10-28-20(30)16-18(27(3)21(28)31)25-17(24-16)13-7-8-15(23-12-13)26(2)19(29)14-6-5-9-22-11-14/h6-10,15-16H,4-5,11-14H2,1-3H3,(H,28,29);7-8,11-13H,5-6,9-10H2,1-4H3,(H,28,29);6-9,12-13H,4-5,10-11H2,1-3H3,(H,30,31);4-9,12-13H,1-2,10-11H2,3H3,(H,27,28);1,5-9,13-14H,10-12H2,2-3H3,(H,26,27);6-11,14H,4-5,12-13H2,1-3H3,(H,26,27);1,5-9,11-12H,10H2,2-3H3,(H,24,25).
What are the key properties of 6-chloro-N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;2-chloro-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide;N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-4-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(2-methoxyethyl)-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide;N-methyl-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide?
6-chloro-N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;2-chloro-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide;N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-4-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(2-methoxyethyl)-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide;N-methyl-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 3335.31 g/mol, XLogP of 14.94, 51 rotatable bonds, 7 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;2-chloro-N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-methoxy-N-methylpyridine-4-carboxamide;N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-4-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-methoxyethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(2-methoxyethyl)-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide;N-methyl-N-[5-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 158600723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).