3-[4-[5-(7-chloro-5-hydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one

C128H139Cl3N16O26 — CID 172951423

About 3-[4-[5-(7-chloro-5-hydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one

3-[4-[5-(7-chloro-5-hydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one (PubChem CID 172951423) has the molecular formula C128H139Cl3N16O26 and a molecular weight of 2423.96 g/mol. Its IUPAC name is 3-[4-[5-(7-chloro-5-hydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one.

Molecular Properties

• Compound Name: 3-[4-[5-(7-chloro-5-hydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
• PubChem CID: 172951423
• Molecular Formula: C128H139Cl3N16O26
• Molecular Weight: 2423.96 g/mol
• Exact Mass: 2420.91
• IUPAC Name: 3-[4-[5-(7-chloro-5-hydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
• SMILES: CC(C)C(=O)c1c(C(C)C)nn2ccccc12.CCCCn1c(=O)c2c(ncn2CC(C)=O)n(CCCC)c1=O.CCCn1c(=O)c2c(C)nc(CC)n2c2nc(OC)ccc21.COC(=O)N1C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@](C)(C(C)=O)C1.COc1ccc(/C(C)=N/OC(N)=O)cc1OC1CCCC1.COc1ccc(C(=O)Nc2cc(Cl)cnc2Cl)c2cccnc12.O=c1c(-c2ccc(Oc3cc(-c4coc5cc(Cl)cc(O)c5c4=O)ccc3O)cc2)coc2cc(O)cc(O)c12
• InChI: InChI=1S/C30H17ClO9.C21H29NO5.C16H11Cl2N3O2.C16H24N4O3.C16H20N4O2.C15H20N2O4.C14H18N2O/c31-16-8-22(34)27-25(9-16)38-13-20(30(27)37)15-3-6-21(33)24(7-15)40-18-4-1-14(2-5-18)19-12-39-26-11-17(32)10-23(35)28(26)29(19)36;1-14(23)21(2)13-22(20(24)26-4)12-17(21)15-9-10-18(25-3)19(11-15)27-16-7-5-6-8-16;1-23-13-5-4-11(10-3-2-6-19-14(10)13)16(22)21-12-7-9(17)8-20-15(12)18;1-4-6-8-19-14-13(18(11-17-14)10-12(3)21)15(22)20(16(19)23)9-7-5-2;1-5-9-19-11-7-8-13(22-4)18-15(11)20-12(6-2)17-10(3)14(20)16(19)21;1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12;1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h1-13,32-35H;9-11,16-17H,5-8,12-13H2,1-4H3;2-8H,1H3,(H,21,22);11H,4-10H2,1-3H3;7-8H,5-6,9H2,1-4H3;7-9,12H,3-6H2,1-2H3,(H2,16,18);5-10H,1-4H3/b;;;;;17-10+;/t;17-,21-;;;;;/m.0...../s1
• InChIKey: WVJOBFMGWVMDPT-VVMSEMSNSA-N
• XLogP: 24.49
• TPSA: 537.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 32
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2423.96
LogP ≤ 5	24.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(7-chloro-5-hydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one?

The IUPAC name of 3-[4-[5-(7-chloro-5-hydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one (CID 172951423) is 3-[4-[5-(7-chloro-5-hydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one.

What is the SMILES notation for 3-[4-[5-(7-chloro-5-hydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one?

The canonical SMILES for 3-[4-[5-(7-chloro-5-hydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one is CC(C)C(=O)c1c(C(C)C)nn2ccccc12.CCCCn1c(=O)c2c(ncn2CC(C)=O)n(CCCC)c1=O.CCCn1c(=O)c2c(C)nc(CC)n2c2nc(OC)ccc21.COC(=O)N1C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@](C)(C(C)=O)C1.COc1ccc(/C(C)=N/OC(N)=O)cc1OC1CCCC1.COc1ccc(C(=O)Nc2cc(Cl)cnc2Cl)c2cccnc12.O=c1c(-c2ccc(Oc3cc(-c4coc5cc(Cl)cc(O)c5c4=O)ccc3O)cc2)coc2cc(O)cc(O)c12.

What is the InChIKey of 3-[4-[5-(7-chloro-5-hydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one?

The InChIKey is WVJOBFMGWVMDPT-VVMSEMSNSA-N. The full InChI is InChI=1S/C30H17ClO9.C21H29NO5.C16H11Cl2N3O2.C16H24N4O3.C16H20N4O2.C15H20N2O4.C14H18N2O/c31-16-8-22(34)27-25(9-16)38-13-20(30(27)37)15-3-6-21(33)24(7-15)40-18-4-1-14(2-5-18)19-12-39-26-11-17(32)10-23(35)28(26)29(19)36;1-14(23)21(2)13-22(20(24)26-4)12-17(21)15-9-10-18(25-3)19(11-15)27-16-7-5-6-8-16;1-23-13-5-4-11(10-3-2-6-19-14(10)13)16(22)21-12-7-9(17)8-20-15(12)18;1-4-6-8-19-14-13(18(11-17-14)10-12(3)21)15(22)20(16(19)23)9-7-5-2;1-5-9-19-11-7-8-13(22-4)18-15(11)20-12(6-2)17-10(3)14(20)16(19)21;1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12;1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h1-13,32-35H;9-11,16-17H,5-8,12-13H2,1-4H3;2-8H,1H3,(H,21,22);11H,4-10H2,1-3H3;7-8H,5-6,9H2,1-4H3;7-9,12H,3-6H2,1-2H3,(H2,16,18);5-10H,1-4H3/b;;;;;17-10+;/t;17-,21-;;;;;/m.0...../s1.

What are the key properties of 3-[4-[5-(7-chloro-5-hydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one?

3-[4-[5-(7-chloro-5-hydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one has a molecular weight of 2423.96 g/mol, XLogP of 24.49, 32 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[5-(7-chloro-5-hydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-ethyl-12-methoxy-5-methyl-8-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;methyl (3S,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one is sourced from PubChem (CID 172951423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).