4-(3-cyclopropylpropyl)-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C16H18FNO4 — CID 58187606

IUPAC4-(3-cyclopropylpropyl)-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCC3CC3)c2C(=O)N1CCF
InChIInChI=1S/C16H18FNO4/c17-6-7-18-13(19)9-12-15(16(18)21)11(8-14(20)22-12)3-1-2-10-4-5-10/h8,10H,1-7,9H2
InChIKeyHMCDAWHJZNGXJJ-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.87
Rot. Bonds6

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

4-(3-cyclopropylpropyl)-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58187606) has the molecular formula C16H18FNO4 and a molecular weight of 307.32 g/mol. Its IUPAC name is 4-(3-cyclopropylpropyl)-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-(3-cyclopropylpropyl)-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58187606
Molecular FormulaC16H18FNO4
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name4-(3-cyclopropylpropyl)-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCC3CC3)c2C(=O)N1CCF
InChIInChI=1S/C16H18FNO4/c17-6-7-18-13(19)9-12-15(16(18)21)11(8-14(20)22-12)3-1-2-10-4-5-10/h8,10H,1-7,9H2
InChIKeyHMCDAWHJZNGXJJ-UHFFFAOYSA-N
XLogP1.87
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187456
6-(fluoromethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187495
6-(2-fluoroethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187523
4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187560
4-butyl-6-(1-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187711
4-butyl-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187712
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylpropyl)-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-(3-cyclopropylpropyl)-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58187606) is 4-(3-cyclopropylpropyl)-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-(3-cyclopropylpropyl)-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-(3-cyclopropylpropyl)-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(CCCC3CC3)c2C(=O)N1CCF.
What is the InChIKey of 4-(3-cyclopropylpropyl)-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is HMCDAWHJZNGXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4/c17-6-7-18-13(19)9-12-15(16(18)21)11(8-14(20)22-12)3-1-2-10-4-5-10/h8,10H,1-7,9H2.
What are the key properties of 4-(3-cyclopropylpropyl)-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-(3-cyclopropylpropyl)-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 307.32 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylpropyl)-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58187606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).