CID 147085200

C25H27FN4O2 — CID 147085200

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(CC(=O)c3ccc(F)cn3)cc1C21N=C(C)C(N)=N1
InChIInChI=1S/C25H27FN4O2/c1-15-23(27)30-25(29-15)20-11-16(12-22(31)21-6-5-18(26)14-28-21)3-4-17(20)13-24(25)9-7-19(32-2)8-10-24/h3-6,11,14,19H,7-10,12-13H2,1-2H3,(H2,27,30)
InChIKeyBHRUKMQHVRQODO-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.76
Rot. Bonds4

About CID 147085200

CID 147085200 (PubChem CID 147085200) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol.

Molecular Properties

Compound NameCID 147085200
PubChem CID147085200
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(CC(=O)c3ccc(F)cn3)cc1C21N=C(C)C(N)=N1
InChIInChI=1S/C25H27FN4O2/c1-15-23(27)30-25(29-15)20-11-16(12-22(31)21-6-5-18(26)14-28-21)3-4-17(20)13-24(25)9-7-19(32-2)8-10-24/h3-6,11,14,19H,7-10,12-13H2,1-2H3,(H2,27,30)
InChIKeyBHRUKMQHVRQODO-UHFFFAOYSA-N
XLogP3.76
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[3-[(1R,5R,6S)-3-amino-2,2,5-trimethyl-1-oxo-1λ6-thia-4,9-diazabicyclo[4.3.0]nona-1(9),3-dien-5-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of CID 147085200?
The IUPAC name of CID 147085200 (CID 147085200) is not available.
What is the SMILES notation for CID 147085200?
The canonical SMILES for CID 147085200 is COC1CCC2(CC1)Cc1ccc(CC(=O)c3ccc(F)cn3)cc1C21N=C(C)C(N)=N1.
What is the InChIKey of CID 147085200?
The InChIKey is BHRUKMQHVRQODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-15-23(27)30-25(29-15)20-11-16(12-22(31)21-6-5-18(26)14-28-21)3-4-17(20)13-24(25)9-7-19(32-2)8-10-24/h3-6,11,14,19H,7-10,12-13H2,1-2H3,(H2,27,30).
What are the key properties of CID 147085200?
CID 147085200 has a molecular weight of 434.52 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147085200 is sourced from PubChem (CID 147085200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).