CID 58197145

C27H23FN4O — CID 58197145

IUPAC—
SMILESCN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCc2cc(F)ccc2C1
InChIInChI=1S/C27H23FN4O/c1-32-25(30)31-27(33-32)24-13-19(18-4-2-3-17(11-18)16-29)5-6-22(24)15-26(27)10-9-20-12-23(28)8-7-21(20)14-26/h2-8,11-13H,9-10,14-15H2,1H3,(H2,30,31)
InChIKeyOBVWPDZIMHUUSX-UHFFFAOYSA-N
MW438.51 g/mol
LogP4.44
Rot. Bonds1

About CID 58197145

CID 58197145 (PubChem CID 58197145) has the molecular formula C27H23FN4O and a molecular weight of 438.51 g/mol.

Molecular Properties

Compound NameCID 58197145
PubChem CID58197145
Molecular FormulaC27H23FN4O
Molecular Weight438.51 g/mol
Exact Mass438.19
IUPAC Name—
SMILESCN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCc2cc(F)ccc2C1
InChIInChI=1S/C27H23FN4O/c1-32-25(30)31-27(33-32)24-13-19(18-4-2-3-17(11-18)16-29)5-6-22(24)15-26(27)10-9-20-12-23(28)8-7-21(20)14-26/h2-8,11-13H,9-10,14-15H2,1H3,(H2,30,31)
InChIKeyOBVWPDZIMHUUSX-UHFFFAOYSA-N
XLogP4.44
TPSA74.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58197145?
The IUPAC name of CID 58197145 (CID 58197145) is not available.
What is the SMILES notation for CID 58197145?
The canonical SMILES for CID 58197145 is CN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCc2cc(F)ccc2C1.
What is the InChIKey of CID 58197145?
The InChIKey is OBVWPDZIMHUUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O/c1-32-25(30)31-27(33-32)24-13-19(18-4-2-3-17(11-18)16-29)5-6-22(24)15-26(27)10-9-20-12-23(28)8-7-21(20)14-26/h2-8,11-13H,9-10,14-15H2,1H3,(H2,30,31).
What are the key properties of CID 58197145?
CID 58197145 has a molecular weight of 438.51 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197145 is sourced from PubChem (CID 58197145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).