CID 149210100

C26H27F3N4O2 — CID 149210100

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(CC(=O)c3ccc(C(F)(F)F)cn3)cc1C21N=C(C)C(N)=N1
InChIInChI=1S/C26H27F3N4O2/c1-15-23(30)33-25(32-15)20-11-16(12-22(34)21-6-5-18(14-31-21)26(27,28)29)3-4-17(20)13-24(25)9-7-19(35-2)8-10-24/h3-6,11,14,19H,7-10,12-13H2,1-2H3,(H2,30,33)
InChIKeyXGKJJSGXWIMYBX-UHFFFAOYSA-N
MW484.52 g/mol
LogP4.64
Rot. Bonds4

About CID 149210100

CID 149210100 (PubChem CID 149210100) has the molecular formula C26H27F3N4O2 and a molecular weight of 484.52 g/mol.

Molecular Properties

Compound NameCID 149210100
PubChem CID149210100
Molecular FormulaC26H27F3N4O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(CC(=O)c3ccc(C(F)(F)F)cn3)cc1C21N=C(C)C(N)=N1
InChIInChI=1S/C26H27F3N4O2/c1-15-23(30)33-25(32-15)20-11-16(12-22(34)21-6-5-18(14-31-21)26(27,28)29)3-4-17(20)13-24(25)9-7-19(35-2)8-10-24/h3-6,11,14,19H,7-10,12-13H2,1-2H3,(H2,30,33)
InChIKeyXGKJJSGXWIMYBX-UHFFFAOYSA-N
XLogP4.64
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 149210100?
The IUPAC name of CID 149210100 (CID 149210100) is not available.
What is the SMILES notation for CID 149210100?
The canonical SMILES for CID 149210100 is COC1CCC2(CC1)Cc1ccc(CC(=O)c3ccc(C(F)(F)F)cn3)cc1C21N=C(C)C(N)=N1.
What is the InChIKey of CID 149210100?
The InChIKey is XGKJJSGXWIMYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O2/c1-15-23(30)33-25(32-15)20-11-16(12-22(34)21-6-5-18(14-31-21)26(27,28)29)3-4-17(20)13-24(25)9-7-19(35-2)8-10-24/h3-6,11,14,19H,7-10,12-13H2,1-2H3,(H2,30,33).
What are the key properties of CID 149210100?
CID 149210100 has a molecular weight of 484.52 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 149210100 is sourced from PubChem (CID 149210100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).