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

C16H17F2NO4 — CID 58317038

IUPAC4-(3-cyclopropylpropyl)-6-(2,2-difluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCC3CC3)c2C(=O)N1CC(F)F
InChIInChI=1S/C16H17F2NO4/c17-12(18)8-19-13(20)7-11-15(16(19)22)10(6-14(21)23-11)3-1-2-9-4-5-9/h6,9,12H,1-5,7-8H2
InChIKeyINGHMEKKULQMJW-UHFFFAOYSA-N
MW325.31 g/mol
LogP2.16
Rot. Bonds6

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

4-(3-cyclopropylpropyl)-6-(2,2-difluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317038) has the molecular formula C16H17F2NO4 and a molecular weight of 325.31 g/mol. Its IUPAC name is 4-(3-cyclopropylpropyl)-6-(2,2-difluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-(3-cyclopropylpropyl)-6-(2,2-difluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317038
Molecular FormulaC16H17F2NO4
Molecular Weight325.31 g/mol
Exact Mass325.11
IUPAC Name4-(3-cyclopropylpropyl)-6-(2,2-difluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCC3CC3)c2C(=O)N1CC(F)F
InChIInChI=1S/C16H17F2NO4/c17-12(18)8-19-13(20)7-11-15(16(19)22)10(6-14(21)23-11)3-1-2-9-4-5-9/h6,9,12H,1-5,7-8H2
InChIKeyINGHMEKKULQMJW-UHFFFAOYSA-N
XLogP2.16
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 52.16
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
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-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-butyl-6-(difluoromethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317059
4-butyl-6-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317065

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylpropyl)-6-(2,2-difluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-(3-cyclopropylpropyl)-6-(2,2-difluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317038) is 4-(3-cyclopropylpropyl)-6-(2,2-difluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-(3-cyclopropylpropyl)-6-(2,2-difluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-(3-cyclopropylpropyl)-6-(2,2-difluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(CCCC3CC3)c2C(=O)N1CC(F)F.
What is the InChIKey of 4-(3-cyclopropylpropyl)-6-(2,2-difluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is INGHMEKKULQMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO4/c17-12(18)8-19-13(20)7-11-15(16(19)22)10(6-14(21)23-11)3-1-2-9-4-5-9/h6,9,12H,1-5,7-8H2.
What are the key properties of 4-(3-cyclopropylpropyl)-6-(2,2-difluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-(3-cyclopropylpropyl)-6-(2,2-difluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 325.31 g/mol, XLogP of 2.16, 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-(2,2-difluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).