(4R)-5-[1-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one

C18H16F7N5O2 — CID 178043267

IUPAC(4R)-5-[1-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
SMILESO=C1Nc2nccc(-c3cc(C(F)(F)F)n(CC4(F)CCNCC4)n3)c2[C@H](C(F)(F)F)O1
InChIInChI=1S/C18H16F7N5O2/c19-16(2-5-26-6-3-16)8-30-11(17(20,21)22)7-10(29-30)9-1-4-27-14-12(9)13(18(23,24)25)32-15(31)28-14/h1,4,7,13,26H,2-3,5-6,8H2,(H,27,28,31)/t13-/m1/s1
InChIKeyMIVLLHPMVIQMGO-CYBMUJFWSA-N
MW467.35 g/mol
LogP4.22
Rot. Bonds3

About (4R)-5-[1-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one

(4R)-5-[1-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one (PubChem CID 178043267) has the molecular formula C18H16F7N5O2 and a molecular weight of 467.35 g/mol. Its IUPAC name is (4R)-5-[1-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name(4R)-5-[1-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
PubChem CID178043267
Molecular FormulaC18H16F7N5O2
Molecular Weight467.35 g/mol
Exact Mass467.12
IUPAC Name(4R)-5-[1-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
SMILESO=C1Nc2nccc(-c3cc(C(F)(F)F)n(CC4(F)CCNCC4)n3)c2[C@H](C(F)(F)F)O1
InChIInChI=1S/C18H16F7N5O2/c19-16(2-5-26-6-3-16)8-30-11(17(20,21)22)7-10(29-30)9-1-4-27-14-12(9)13(18(23,24)25)32-15(31)28-14/h1,4,7,13,26H,2-3,5-6,8H2,(H,27,28,31)/t13-/m1/s1
InChIKeyMIVLLHPMVIQMGO-CYBMUJFWSA-N
XLogP4.22
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.35
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-5-[1-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[1-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The IUPAC name of (4R)-5-[1-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one (CID 178043267) is (4R)-5-[1-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one.
What is the SMILES notation for (4R)-5-[1-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The canonical SMILES for (4R)-5-[1-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one is O=C1Nc2nccc(-c3cc(C(F)(F)F)n(CC4(F)CCNCC4)n3)c2[C@H](C(F)(F)F)O1.
What is the InChIKey of (4R)-5-[1-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The InChIKey is MIVLLHPMVIQMGO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H16F7N5O2/c19-16(2-5-26-6-3-16)8-30-11(17(20,21)22)7-10(29-30)9-1-4-27-14-12(9)13(18(23,24)25)32-15(31)28-14/h1,4,7,13,26H,2-3,5-6,8H2,(H,27,28,31)/t13-/m1/s1.
What are the key properties of (4R)-5-[1-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
(4R)-5-[1-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one has a molecular weight of 467.35 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[1-[(4-fluoropiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one is sourced from PubChem (CID 178043267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).