(4R)-4-(difluoromethyl)-5-[4-(1,1-difluoropropyl)-6-[4-(fluoromethyl)piperidin-4-yl]-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one

C22H23F5N4O2 — CID 178042112

IUPAC(4R)-4-(difluoromethyl)-5-[4-(1,1-difluoropropyl)-6-[4-(fluoromethyl)piperidin-4-yl]-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
SMILESCCC(F)(F)c1cc(-c2ccnc3c2[C@H](C(F)F)OC(=O)N3)nc(C2(CF)CCNCC2)c1
InChIInChI=1S/C22H23F5N4O2/c1-2-22(26,27)12-9-14(30-15(10-12)21(11-23)4-7-28-8-5-21)13-3-6-29-19-16(13)17(18(24)25)33-20(32)31-19/h3,6,9-10,17-18,28H,2,4-5,7-8,11H2,1H3,(H,29,31,32)/t17-/m1/s1
InChIKeyKDBUCZVEUILUDH-QGZVFWFLSA-N
MW470.44 g/mol
LogP5.10
Rot. Bonds6

About (4R)-4-(difluoromethyl)-5-[4-(1,1-difluoropropyl)-6-[4-(fluoromethyl)piperidin-4-yl]-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one

(4R)-4-(difluoromethyl)-5-[4-(1,1-difluoropropyl)-6-[4-(fluoromethyl)piperidin-4-yl]-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one (PubChem CID 178042112) has the molecular formula C22H23F5N4O2 and a molecular weight of 470.44 g/mol. Its IUPAC name is (4R)-4-(difluoromethyl)-5-[4-(1,1-difluoropropyl)-6-[4-(fluoromethyl)piperidin-4-yl]-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name(4R)-4-(difluoromethyl)-5-[4-(1,1-difluoropropyl)-6-[4-(fluoromethyl)piperidin-4-yl]-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
PubChem CID178042112
Molecular FormulaC22H23F5N4O2
Molecular Weight470.44 g/mol
Exact Mass470.17
IUPAC Name(4R)-4-(difluoromethyl)-5-[4-(1,1-difluoropropyl)-6-[4-(fluoromethyl)piperidin-4-yl]-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
SMILESCCC(F)(F)c1cc(-c2ccnc3c2[C@H](C(F)F)OC(=O)N3)nc(C2(CF)CCNCC2)c1
InChIInChI=1S/C22H23F5N4O2/c1-2-22(26,27)12-9-14(30-15(10-12)21(11-23)4-7-28-8-5-21)13-3-6-29-19-16(13)17(18(24)25)33-20(32)31-19/h3,6,9-10,17-18,28H,2,4-5,7-8,11H2,1H3,(H,29,31,32)/t17-/m1/s1
InChIKeyKDBUCZVEUILUDH-QGZVFWFLSA-N
XLogP5.10
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.44
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R)-4-(difluoromethyl)-5-[4-(1,1-difluoropropyl)-6-[4-(fluoromethyl)piperidin-4-yl]-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(difluoromethyl)-5-[4-(1,1-difluoropropyl)-6-[4-(fluoromethyl)piperidin-4-yl]-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The IUPAC name of (4R)-4-(difluoromethyl)-5-[4-(1,1-difluoropropyl)-6-[4-(fluoromethyl)piperidin-4-yl]-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one (CID 178042112) is (4R)-4-(difluoromethyl)-5-[4-(1,1-difluoropropyl)-6-[4-(fluoromethyl)piperidin-4-yl]-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one.
What is the SMILES notation for (4R)-4-(difluoromethyl)-5-[4-(1,1-difluoropropyl)-6-[4-(fluoromethyl)piperidin-4-yl]-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The canonical SMILES for (4R)-4-(difluoromethyl)-5-[4-(1,1-difluoropropyl)-6-[4-(fluoromethyl)piperidin-4-yl]-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one is CCC(F)(F)c1cc(-c2ccnc3c2[C@H](C(F)F)OC(=O)N3)nc(C2(CF)CCNCC2)c1.
What is the InChIKey of (4R)-4-(difluoromethyl)-5-[4-(1,1-difluoropropyl)-6-[4-(fluoromethyl)piperidin-4-yl]-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The InChIKey is KDBUCZVEUILUDH-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23F5N4O2/c1-2-22(26,27)12-9-14(30-15(10-12)21(11-23)4-7-28-8-5-21)13-3-6-29-19-16(13)17(18(24)25)33-20(32)31-19/h3,6,9-10,17-18,28H,2,4-5,7-8,11H2,1H3,(H,29,31,32)/t17-/m1/s1.
What are the key properties of (4R)-4-(difluoromethyl)-5-[4-(1,1-difluoropropyl)-6-[4-(fluoromethyl)piperidin-4-yl]-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
(4R)-4-(difluoromethyl)-5-[4-(1,1-difluoropropyl)-6-[4-(fluoromethyl)piperidin-4-yl]-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one has a molecular weight of 470.44 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(difluoromethyl)-5-[4-(1,1-difluoropropyl)-6-[4-(fluoromethyl)piperidin-4-yl]-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one is sourced from PubChem (CID 178042112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).