CID 158327362

C24H24F3N3O5 — CID 158327362

IUPAC—
SMILESCC1(C)Oc2ccc(CC(=O)c3ccc(OCC(F)(F)F)cn3)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C24H24F3N3O5/c1-21(2)22(10-32-11-22)23(12-34-20(28)30-23)16-7-14(3-6-19(16)35-21)8-18(31)17-5-4-15(9-29-17)33-13-24(25,26)27/h3-7,9H,8,10-13H2,1-2H3,(H2,28,30)
InChIKeyGPOOLMBLEYRSIM-UHFFFAOYSA-N
MW491.47 g/mol
LogP3.18
Rot. Bonds5

About CID 158327362

CID 158327362 (PubChem CID 158327362) has the molecular formula C24H24F3N3O5 and a molecular weight of 491.47 g/mol.

Molecular Properties

Compound NameCID 158327362
PubChem CID158327362
Molecular FormulaC24H24F3N3O5
Molecular Weight491.47 g/mol
Exact Mass491.17
IUPAC Name—
SMILESCC1(C)Oc2ccc(CC(=O)c3ccc(OCC(F)(F)F)cn3)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C24H24F3N3O5/c1-21(2)22(10-32-11-22)23(12-34-20(28)30-23)16-7-14(3-6-19(16)35-21)8-18(31)17-5-4-15(9-29-17)33-13-24(25,26)27/h3-7,9H,8,10-13H2,1-2H3,(H2,28,30)
InChIKeyGPOOLMBLEYRSIM-UHFFFAOYSA-N
XLogP3.18
TPSA105.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 90056272
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2-[3-[(5R)-3-amino-6,6-difluoro-5-methyl-2,7-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanone;formic acid
CID 159456669
CID 159455011
CID 159455011
N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 123737721
2-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanone
CID 161449620
CID 90055997
CID 90055997
CID 123368464
CID 123368464

Frequently Asked Questions

What is the IUPAC name of CID 158327362?
The IUPAC name of CID 158327362 (CID 158327362) is not available.
What is the SMILES notation for CID 158327362?
The canonical SMILES for CID 158327362 is CC1(C)Oc2ccc(CC(=O)c3ccc(OCC(F)(F)F)cn3)cc2C2(COC(N)=N2)C12COC2.
What is the InChIKey of CID 158327362?
The InChIKey is GPOOLMBLEYRSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O5/c1-21(2)22(10-32-11-22)23(12-34-20(28)30-23)16-7-14(3-6-19(16)35-21)8-18(31)17-5-4-15(9-29-17)33-13-24(25,26)27/h3-7,9H,8,10-13H2,1-2H3,(H2,28,30).
What are the key properties of CID 158327362?
CID 158327362 has a molecular weight of 491.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158327362 is sourced from PubChem (CID 158327362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).