6-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-4,7-diazaspiro[2.5]octan-7-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one

C24H23F3N6O2 — CID 25141668

IUPAC6-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-4,7-diazaspiro[2.5]octan-7-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one
SMILESO=C1NCc2cc(-c3[nH]ncc3CN3CCN(c4ccc(C(F)(F)F)cn4)C4(CC4)C3)ccc2O1
InChIInChI=1S/C24H23F3N6O2/c25-24(26,27)18-2-4-20(28-12-18)33-8-7-32(14-23(33)5-6-23)13-17-11-30-31-21(17)15-1-3-19-16(9-15)10-29-22(34)35-19/h1-4,9,11-12H,5-8,10,13-14H2,(H,29,34)(H,30,31)
InChIKeyUFLQONLKMHNDNC-UHFFFAOYSA-N
MW484.48 g/mol
LogP3.95
Rot. Bonds4

About 6-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-4,7-diazaspiro[2.5]octan-7-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one

6-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-4,7-diazaspiro[2.5]octan-7-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one (PubChem CID 25141668) has the molecular formula C24H23F3N6O2 and a molecular weight of 484.48 g/mol. Its IUPAC name is 6-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-4,7-diazaspiro[2.5]octan-7-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one.

Molecular Properties

Compound Name6-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-4,7-diazaspiro[2.5]octan-7-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one
PubChem CID25141668
Molecular FormulaC24H23F3N6O2
Molecular Weight484.48 g/mol
Exact Mass484.18
IUPAC Name6-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-4,7-diazaspiro[2.5]octan-7-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one
SMILESO=C1NCc2cc(-c3[nH]ncc3CN3CCN(c4ccc(C(F)(F)F)cn4)C4(CC4)C3)ccc2O1
InChIInChI=1S/C24H23F3N6O2/c25-24(26,27)18-2-4-20(28-12-18)33-8-7-32(14-23(33)5-6-23)13-17-11-30-31-21(17)15-1-3-19-16(9-15)10-29-22(34)35-19/h1-4,9,11-12H,5-8,10,13-14H2,(H,29,34)(H,30,31)
InChIKeyUFLQONLKMHNDNC-UHFFFAOYSA-N
XLogP3.95
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-4,7-diazaspiro[2.5]octan-7-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-4,7-diazaspiro[2.5]octan-7-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one?
The IUPAC name of 6-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-4,7-diazaspiro[2.5]octan-7-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one (CID 25141668) is 6-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-4,7-diazaspiro[2.5]octan-7-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one.
What is the SMILES notation for 6-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-4,7-diazaspiro[2.5]octan-7-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one?
The canonical SMILES for 6-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-4,7-diazaspiro[2.5]octan-7-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one is O=C1NCc2cc(-c3[nH]ncc3CN3CCN(c4ccc(C(F)(F)F)cn4)C4(CC4)C3)ccc2O1.
What is the InChIKey of 6-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-4,7-diazaspiro[2.5]octan-7-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one?
The InChIKey is UFLQONLKMHNDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2/c25-24(26,27)18-2-4-20(28-12-18)33-8-7-32(14-23(33)5-6-23)13-17-11-30-31-21(17)15-1-3-19-16(9-15)10-29-22(34)35-19/h1-4,9,11-12H,5-8,10,13-14H2,(H,29,34)(H,30,31).
What are the key properties of 6-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-4,7-diazaspiro[2.5]octan-7-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one?
6-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-4,7-diazaspiro[2.5]octan-7-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one has a molecular weight of 484.48 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-4,7-diazaspiro[2.5]octan-7-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydro-1,3-benzoxazin-2-one is sourced from PubChem (CID 25141668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).