3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one

C14H14ClF2N5O — CID 167425997

IUPAC3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1cc(Cl)ncc1-c1ccn(C(F)F)n1
InChIInChI=1S/C14H14ClF2N5O/c15-12-6-11(20-10-2-1-4-18-13(10)23)8(7-19-12)9-3-5-22(21-9)14(16)17/h3,5-7,10,14H,1-2,4H2,(H,18,23)(H,19,20)
InChIKeyUWFOCYCKRAZGHR-UHFFFAOYSA-N
MW341.75 g/mol
LogP2.68
Rot. Bonds4

About 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one

3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one (PubChem CID 167425997) has the molecular formula C14H14ClF2N5O and a molecular weight of 341.75 g/mol. Its IUPAC name is 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one.

Molecular Properties

Compound Name3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one
PubChem CID167425997
Molecular FormulaC14H14ClF2N5O
Molecular Weight341.75 g/mol
Exact Mass341.09
IUPAC Name3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1cc(Cl)ncc1-c1ccn(C(F)F)n1
InChIInChI=1S/C14H14ClF2N5O/c15-12-6-11(20-10-2-1-4-18-13(10)23)8(7-19-12)9-3-5-22(21-9)14(16)17/h3,5-7,10,14H,1-2,4H2,(H,18,23)(H,19,20)
InChIKeyUWFOCYCKRAZGHR-UHFFFAOYSA-N
XLogP2.68
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one?
The IUPAC name of 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one (CID 167425997) is 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one.
What is the SMILES notation for 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one?
The canonical SMILES for 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one is O=C1NCCCC1Nc1cc(Cl)ncc1-c1ccn(C(F)F)n1.
What is the InChIKey of 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one?
The InChIKey is UWFOCYCKRAZGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N5O/c15-12-6-11(20-10-2-1-4-18-13(10)23)8(7-19-12)9-3-5-22(21-9)14(16)17/h3,5-7,10,14H,1-2,4H2,(H,18,23)(H,19,20).
What are the key properties of 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one?
3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one has a molecular weight of 341.75 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-4-pyridinyl]amino]piperidin-2-one is sourced from PubChem (CID 167425997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).