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

C20H21F3N6O2 — CID 58486570

IUPAC5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-3-carboxamide
SMILESC[C@@H]1CN(Cc2cn[nH]c2-c2cc(C(N)=O)co2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H21F3N6O2/c1-12-9-28(4-5-29(12)17-3-2-15(8-25-17)20(21,22)23)10-14-7-26-27-18(14)16-6-13(11-31-16)19(24)30/h2-3,6-8,11-12H,4-5,9-10H2,1H3,(H2,24,30)(H,26,27)/t12-/m1/s1
InChIKeyICAZEYNLLYXCTF-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-3-carboxamide

5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-3-carboxamide (PubChem CID 58486570) 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-3-carboxamide.

Molecular Properties

Compound Name5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-3-carboxamide
PubChem CID58486570
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-3-carboxamide
SMILESC[C@@H]1CN(Cc2cn[nH]c2-c2cc(C(N)=O)co2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H21F3N6O2/c1-12-9-28(4-5-29(12)17-3-2-15(8-25-17)20(21,22)23)10-14-7-26-27-18(14)16-6-13(11-31-16)19(24)30/h2-3,6-8,11-12H,4-5,9-10H2,1H3,(H2,24,30)(H,26,27)/t12-/m1/s1
InChIKeyICAZEYNLLYXCTF-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

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Related Compounds

CID 16187231
CID 16187231
CID 58365599
CID 58365599
CID 58366115
CID 58366115
CID 58486579
CID 58486579
CID 58486589
CID 58486589
CID 58486615
CID 58486615
CID 168281175
CID 168281175
CID 58486560
CID 58486560
CID 58486576
CID 58486576
CID 3148221
CID 3148221
CID 25341749
CID 25341749
CID 28330664
CID 28330664

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-3-carboxamide?
The IUPAC name of 5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-3-carboxamide (CID 58486570) is 5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-3-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-3-carboxamide?
The canonical SMILES for 5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-3-carboxamide is C[C@@H]1CN(Cc2cn[nH]c2-c2cc(C(N)=O)co2)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-3-carboxamide?
The InChIKey is ICAZEYNLLYXCTF-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H21F3N6O2/c1-12-9-28(4-5-29(12)17-3-2-15(8-25-17)20(21,22)23)10-14-7-26-27-18(14)16-6-13(11-31-16)19(24)30/h2-3,6-8,11-12H,4-5,9-10H2,1H3,(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-3-carboxamide?
5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-3-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-3-carboxamide is sourced from PubChem (CID 58486570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).