4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-cyclobutyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(cycloheptylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-methoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-pent-4-ynyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C84H84N6O25 — CID 157427420

IUPAC4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-cyclobutyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(cycloheptylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-methoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-pent-4-ynyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESC#CCCCc1cc(=O)oc2c1C(=O)NC(=O)C2.CC1CCC(Cc2cc(=O)oc3c2C(=O)NC(=O)C3)CC1.COCCCc1cc(=O)oc2c1C(=O)NC(=O)C2.O=C1Cc2oc(=O)cc(C3CCC3)c2C(=O)N1.O=C1Cc2oc(=O)cc(CC3CCCCCC3)c2C(=O)N1.O=C1Cc2oc(=O)cc(Cc3ccccc3)c2C(=O)N1
InChIInChI=1S/2C16H19NO4.C15H11NO4.C13H11NO4.C12H13NO5.C12H11NO4/c1-9-2-4-10(5-3-9)6-11-7-14(19)21-12-8-13(18)17-16(20)15(11)12;18-13-9-12-15(16(20)17-13)11(8-14(19)21-12)7-10-5-3-1-2-4-6-10;17-12-8-11-14(15(19)16-12)10(7-13(18)20-11)6-9-4-2-1-3-5-9;1-2-3-4-5-8-6-11(16)18-9-7-10(15)14-13(17)12(8)9;1-17-4-2-3-7-5-10(15)18-8-6-9(14)13-12(16)11(7)8;14-9-5-8-11(12(16)13-9)7(4-10(15)17-8)6-2-1-3-6/h7,9-10H,2-6,8H2,1H3,(H,17,18,20);8,10H,1-7,9H2,(H,17,18,20);1-5,7H,6,8H2,(H,16,17,19);1,6H,3-5,7H2,(H,14,15,17);5H,2-4,6H2,1H3,(H,13,14,16);4,6H,1-3,5H2,(H,13,14,16)
InChIKeyBQCUZUNTZWUFDT-UHFFFAOYSA-N
MW1577.61 g/mol
LogP5.99
Rot. Bonds14

About 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-cyclobutyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(cycloheptylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-methoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-pent-4-ynyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-cyclobutyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(cycloheptylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-methoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-pent-4-ynyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 157427420) has the molecular formula C84H84N6O25 and a molecular weight of 1577.61 g/mol. Its IUPAC name is 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-cyclobutyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(cycloheptylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-methoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-pent-4-ynyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-cyclobutyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(cycloheptylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-methoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-pent-4-ynyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID157427420
Molecular FormulaC84H84N6O25
Molecular Weight1577.61 g/mol
Exact Mass1576.55
IUPAC Name4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-cyclobutyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(cycloheptylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-methoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-pent-4-ynyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESC#CCCCc1cc(=O)oc2c1C(=O)NC(=O)C2.CC1CCC(Cc2cc(=O)oc3c2C(=O)NC(=O)C3)CC1.COCCCc1cc(=O)oc2c1C(=O)NC(=O)C2.O=C1Cc2oc(=O)cc(C3CCC3)c2C(=O)N1.O=C1Cc2oc(=O)cc(CC3CCCCCC3)c2C(=O)N1.O=C1Cc2oc(=O)cc(Cc3ccccc3)c2C(=O)N1
InChIInChI=1S/2C16H19NO4.C15H11NO4.C13H11NO4.C12H13NO5.C12H11NO4/c1-9-2-4-10(5-3-9)6-11-7-14(19)21-12-8-13(18)17-16(20)15(11)12;18-13-9-12-15(16(20)17-13)11(8-14(19)21-12)7-10-5-3-1-2-4-6-10;17-12-8-11-14(15(19)16-12)10(7-13(18)20-11)6-9-4-2-1-3-5-9;1-2-3-4-5-8-6-11(16)18-9-7-10(15)14-13(17)12(8)9;1-17-4-2-3-7-5-10(15)18-8-6-9(14)13-12(16)11(7)8;14-9-5-8-11(12(16)13-9)7(4-10(15)17-8)6-2-1-3-6/h7,9-10H,2-6,8H2,1H3,(H,17,18,20);8,10H,1-7,9H2,(H,17,18,20);1-5,7H,6,8H2,(H,16,17,19);1,6H,3-5,7H2,(H,14,15,17);5H,2-4,6H2,1H3,(H,13,14,16);4,6H,1-3,5H2,(H,13,14,16)
InChIKeyBQCUZUNTZWUFDT-UHFFFAOYSA-N
XLogP5.99
TPSA467.51 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001577.61
LogP ≤ 55.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-cyclobutyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(cycloheptylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-methoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-pent-4-ynyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-but-3-ynyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-hydroxy-3H-pyridine-2,6-dione;methyl 3-oxohept-6-ynoate;4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 159561054
5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-cyclobutyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(cycloheptylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(3-methoxypropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-[(4-methylcyclohexyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-pent-4-ynyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 160611415

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-cyclobutyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(cycloheptylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-methoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-pent-4-ynyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-cyclobutyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(cycloheptylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-methoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-pent-4-ynyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 157427420) is 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-cyclobutyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(cycloheptylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-methoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-pent-4-ynyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-cyclobutyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(cycloheptylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-methoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-pent-4-ynyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-cyclobutyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(cycloheptylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-methoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-pent-4-ynyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione is C#CCCCc1cc(=O)oc2c1C(=O)NC(=O)C2.CC1CCC(Cc2cc(=O)oc3c2C(=O)NC(=O)C3)CC1.COCCCc1cc(=O)oc2c1C(=O)NC(=O)C2.O=C1Cc2oc(=O)cc(C3CCC3)c2C(=O)N1.O=C1Cc2oc(=O)cc(CC3CCCCCC3)c2C(=O)N1.O=C1Cc2oc(=O)cc(Cc3ccccc3)c2C(=O)N1.
What is the InChIKey of 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-cyclobutyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(cycloheptylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-methoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-pent-4-ynyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is BQCUZUNTZWUFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H19NO4.C15H11NO4.C13H11NO4.C12H13NO5.C12H11NO4/c1-9-2-4-10(5-3-9)6-11-7-14(19)21-12-8-13(18)17-16(20)15(11)12;18-13-9-12-15(16(20)17-13)11(8-14(19)21-12)7-10-5-3-1-2-4-6-10;17-12-8-11-14(15(19)16-12)10(7-13(18)20-11)6-9-4-2-1-3-5-9;1-2-3-4-5-8-6-11(16)18-9-7-10(15)14-13(17)12(8)9;1-17-4-2-3-7-5-10(15)18-8-6-9(14)13-12(16)11(7)8;14-9-5-8-11(12(16)13-9)7(4-10(15)17-8)6-2-1-3-6/h7,9-10H,2-6,8H2,1H3,(H,17,18,20);8,10H,1-7,9H2,(H,17,18,20);1-5,7H,6,8H2,(H,16,17,19);1,6H,3-5,7H2,(H,14,15,17);5H,2-4,6H2,1H3,(H,13,14,16);4,6H,1-3,5H2,(H,13,14,16).
What are the key properties of 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-cyclobutyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(cycloheptylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-methoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-pent-4-ynyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-cyclobutyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(cycloheptylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-methoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-pent-4-ynyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 1577.61 g/mol, XLogP of 5.99, 14 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-cyclobutyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(cycloheptylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-methoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-pent-4-ynyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 157427420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).