CID 90055135

C19H17F2N3O3 — CID 90055135

IUPAC—
SMILESNC1=NC2(CO1)c1cc(-c3cncc(OC(F)F)c3)ccc1OCC21CC1
InChIInChI=1S/C19H17F2N3O3/c20-16(21)27-13-5-12(7-23-8-13)11-1-2-15-14(6-11)19(10-26-17(22)24-19)18(3-4-18)9-25-15/h1-2,5-8,16H,3-4,9-10H2,(H2,22,24)
InChIKeyUNYXJDJEOAZPJZ-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.06
Rot. Bonds3

About CID 90055135

CID 90055135 (PubChem CID 90055135) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol.

Molecular Properties

Compound NameCID 90055135
PubChem CID90055135
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name—
SMILESNC1=NC2(CO1)c1cc(-c3cncc(OC(F)F)c3)ccc1OCC21CC1
InChIInChI=1S/C19H17F2N3O3/c20-16(21)27-13-5-12(7-23-8-13)11-1-2-15-14(6-11)19(10-26-17(22)24-19)18(3-4-18)9-25-15/h1-2,5-8,16H,3-4,9-10H2,(H2,22,24)
InChIKeyUNYXJDJEOAZPJZ-UHFFFAOYSA-N
XLogP3.06
TPSA78.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 90055135?
The IUPAC name of CID 90055135 (CID 90055135) is not available.
What is the SMILES notation for CID 90055135?
The canonical SMILES for CID 90055135 is NC1=NC2(CO1)c1cc(-c3cncc(OC(F)F)c3)ccc1OCC21CC1.
What is the InChIKey of CID 90055135?
The InChIKey is UNYXJDJEOAZPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c20-16(21)27-13-5-12(7-23-8-13)11-1-2-15-14(6-11)19(10-26-17(22)24-19)18(3-4-18)9-25-15/h1-2,5-8,16H,3-4,9-10H2,(H2,22,24).
What are the key properties of CID 90055135?
CID 90055135 has a molecular weight of 373.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90055135 is sourced from PubChem (CID 90055135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).