4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C32H37F3N2O8 — CID 123859121

IUPAC4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCC(F)CN1C(=O)Cc2oc(=O)cc(CCCC3CC3)c2C1=O.CCCCc1cc(=O)oc2c1C(=O)N(CC(C)(F)F)C(=O)C2
InChIInChI=1S/C17H20FNO4.C15H17F2NO4/c1-10(18)9-19-14(20)8-13-16(17(19)22)12(7-15(21)23-13)4-2-3-11-5-6-11;1-3-4-5-9-6-12(20)22-10-7-11(19)18(8-15(2,16)17)14(21)13(9)10/h7,10-11H,2-6,8-9H2,1H3;6H,3-5,7-8H2,1-2H3
InChIKeyFIFATAJBRSTODY-UHFFFAOYSA-N
MW634.65 g/mol
LogP4.42
Rot. Bonds11

About 4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 123859121) has the molecular formula C32H37F3N2O8 and a molecular weight of 634.65 g/mol. Its IUPAC name is 4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID123859121
Molecular FormulaC32H37F3N2O8
Molecular Weight634.65 g/mol
Exact Mass634.25
IUPAC Name4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCC(F)CN1C(=O)Cc2oc(=O)cc(CCCC3CC3)c2C1=O.CCCCc1cc(=O)oc2c1C(=O)N(CC(C)(F)F)C(=O)C2
InChIInChI=1S/C17H20FNO4.C15H17F2NO4/c1-10(18)9-19-14(20)8-13-16(17(19)22)12(7-15(21)23-13)4-2-3-11-5-6-11;1-3-4-5-9-6-12(20)22-10-7-11(19)18(8-15(2,16)17)14(21)13(9)10/h7,10-11H,2-6,8-9H2,1H3;6H,3-5,7-8H2,1-2H3
InChIKeyFIFATAJBRSTODY-UHFFFAOYSA-N
XLogP4.42
TPSA135.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.65
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-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-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187329
4-(3-cyclopropylpropyl)-6-(1-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187396
4-(3-Cyclopropylpropyl)-6-(fluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 58187404
4-(3-Cyclopropylpropyl)-6-(difluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 58187424
4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187560
4-(3-cyclopropylpropyl)-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187606
4-(3-cyclopropylpropyl)-6-(fluoromethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187726
4-(3-cyclopropylpropyl)-6-(2,2-difluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317038
4-(3-Cyclopropylpropyl)-6-(1-fluoroethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 58317079
4-(3-cyclopropylpropyl)-6-(difluoromethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317205
4-(2-cyclobutylethyl)-6-ethyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187320
4-(2-cyclopropylethyl)-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187365

Frequently Asked Questions

What is the IUPAC name of 4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 123859121) is 4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is CC(F)CN1C(=O)Cc2oc(=O)cc(CCCC3CC3)c2C1=O.CCCCc1cc(=O)oc2c1C(=O)N(CC(C)(F)F)C(=O)C2.
What is the InChIKey of 4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is FIFATAJBRSTODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4.C15H17F2NO4/c1-10(18)9-19-14(20)8-13-16(17(19)22)12(7-15(21)23-13)4-2-3-11-5-6-11;1-3-4-5-9-6-12(20)22-10-7-11(19)18(8-15(2,16)17)14(21)13(9)10/h7,10-11H,2-6,8-9H2,1H3;6H,3-5,7-8H2,1-2H3.
What are the key properties of 4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 634.65 g/mol, XLogP of 4.42, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 123859121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).