CID 71550347

C25H27FN2O2 — CID 71550347

IUPAC—
SMILESCOc1cccc(-c2ccc3c(c2)C2(C=C(F)C(N)=N2)C2(CCC(OC)CC2)C3)c1
InChIInChI=1S/C25H27FN2O2/c1-29-19-8-10-24(11-9-19)14-18-7-6-17(16-4-3-5-20(12-16)30-2)13-21(18)25(24)15-22(26)23(27)28-25/h3-7,12-13,15,19H,8-11,14H2,1-2H3,(H2,27,28)
InChIKeyPRTNYNVJRGECCP-UHFFFAOYSA-N
MW406.50 g/mol
LogP4.91
Rot. Bonds3

About CID 71550347

CID 71550347 (PubChem CID 71550347) has the molecular formula C25H27FN2O2 and a molecular weight of 406.50 g/mol.

Molecular Properties

Compound NameCID 71550347
PubChem CID71550347
Molecular FormulaC25H27FN2O2
Molecular Weight406.50 g/mol
Exact Mass406.21
IUPAC Name—
SMILESCOc1cccc(-c2ccc3c(c2)C2(C=C(F)C(N)=N2)C2(CCC(OC)CC2)C3)c1
InChIInChI=1S/C25H27FN2O2/c1-29-19-8-10-24(11-9-19)14-18-7-6-17(16-4-3-5-20(12-16)30-2)13-21(18)25(24)15-22(26)23(27)28-25/h3-7,12-13,15,19H,8-11,14H2,1-2H3,(H2,27,28)
InChIKeyPRTNYNVJRGECCP-UHFFFAOYSA-N
XLogP4.91
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 71550347?
The IUPAC name of CID 71550347 (CID 71550347) is not available.
What is the SMILES notation for CID 71550347?
The canonical SMILES for CID 71550347 is COc1cccc(-c2ccc3c(c2)C2(C=C(F)C(N)=N2)C2(CCC(OC)CC2)C3)c1.
What is the InChIKey of CID 71550347?
The InChIKey is PRTNYNVJRGECCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2/c1-29-19-8-10-24(11-9-19)14-18-7-6-17(16-4-3-5-20(12-16)30-2)13-21(18)25(24)15-22(26)23(27)28-25/h3-7,12-13,15,19H,8-11,14H2,1-2H3,(H2,27,28).
What are the key properties of CID 71550347?
CID 71550347 has a molecular weight of 406.50 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71550347 is sourced from PubChem (CID 71550347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).