[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone

C20H20F3N5O2 — CID 154831419

IUPAC[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESCN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cc(-c3ccco3)[nH]n2)C1
InChIInChI=1S/C20H20F3N5O2/c1-27(18-14(20(21,22)23)6-2-8-24-18)13-5-3-9-28(12-13)19(29)16-11-15(25-26-16)17-7-4-10-30-17/h2,4,6-8,10-11,13H,3,5,9,12H2,1H3,(H,25,26)
InChIKeyNDEGLLSRLJZFHW-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.82
Rot. Bonds4

About [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone (PubChem CID 154831419) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
PubChem CID154831419
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESCN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cc(-c3ccco3)[nH]n2)C1
InChIInChI=1S/C20H20F3N5O2/c1-27(18-14(20(21,22)23)6-2-8-24-18)13-5-3-9-28(12-13)19(29)16-11-15(25-26-16)17-7-4-10-30-17/h2,4,6-8,10-11,13H,3,5,9,12H2,1H3,(H,25,26)
InChIKeyNDEGLLSRLJZFHW-UHFFFAOYSA-N
XLogP3.82
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone (CID 154831419) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone is CN(c1ncccc1C(F)(F)F)C1CCCN(C(=O)c2cc(-c3ccco3)[nH]n2)C1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The InChIKey is NDEGLLSRLJZFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c1-27(18-14(20(21,22)23)6-2-8-24-18)13-5-3-9-28(12-13)19(29)16-11-15(25-26-16)17-7-4-10-30-17/h2,4,6-8,10-11,13H,3,5,9,12H2,1H3,(H,25,26).
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone?
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone has a molecular weight of 419.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 154831419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).