5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxamide

C20H21F3N6O2 — CID 58486615

IUPAC5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxamide
SMILESC[C@@H]1CN(Cc2cn[nH]c2-c2ccc(C(N)=O)o2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H21F3N6O2/c1-12-10-28(6-7-29(12)17-5-2-14(9-25-17)20(21,22)23)11-13-8-26-27-18(13)15-3-4-16(31-15)19(24)30/h2-5,8-9,12H,6-7,10-11H2,1H3,(H2,24,30)(H,26,27)/t12-/m1/s1
InChIKeyDFICZHVRKPUPRJ-GFCCVEGCSA-N
MW434.42 g/mol
LogP2.89
Rot. Bonds5

About 5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxamide

5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxamide (PubChem CID 58486615) has the molecular formula C20H21F3N6O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is 5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxamide
PubChem CID58486615
Molecular FormulaC20H21F3N6O2
Molecular Weight434.42 g/mol
Exact Mass434.17
IUPAC Name5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxamide
SMILESC[C@@H]1CN(Cc2cn[nH]c2-c2ccc(C(N)=O)o2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H21F3N6O2/c1-12-10-28(6-7-29(12)17-5-2-14(9-25-17)20(21,22)23)11-13-8-26-27-18(13)15-3-4-16(31-15)19(24)30/h2-5,8-9,12H,6-7,10-11H2,1H3,(H2,24,30)(H,26,27)/t12-/m1/s1
InChIKeyDFICZHVRKPUPRJ-GFCCVEGCSA-N
XLogP2.89
TPSA104.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxamide 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 5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxamide?
The IUPAC name of 5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxamide (CID 58486615) is 5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxamide?
The canonical SMILES for 5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxamide is C[C@@H]1CN(Cc2cn[nH]c2-c2ccc(C(N)=O)o2)CCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxamide?
The InChIKey is DFICZHVRKPUPRJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H21F3N6O2/c1-12-10-28(6-7-29(12)17-5-2-14(9-25-17)20(21,22)23)11-13-8-26-27-18(13)15-3-4-16(31-15)19(24)30/h2-5,8-9,12H,6-7,10-11H2,1H3,(H2,24,30)(H,26,27)/t12-/m1/s1.
What are the key properties of 5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxamide?
5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxamide has a molecular weight of 434.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 58486615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).