N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide

C26H23F3N4O3 — CID 129046497

IUPACN-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccco2)CC1)c1ccc(-c2ccncc2)o1
InChIInChI=1S/C26H23F3N4O3/c27-26(28,29)19-3-4-22(33-13-11-32(12-14-33)17-20-2-1-15-35-20)21(16-19)31-25(34)24-6-5-23(36-24)18-7-9-30-10-8-18/h1-10,15-16H,11-14,17H2,(H,31,34)
InChIKeyYEZNTYUEXWTKKH-UHFFFAOYSA-N
MW496.49 g/mol
LogP5.53
Rot. Bonds6

About N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide

N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide (PubChem CID 129046497) has the molecular formula C26H23F3N4O3 and a molecular weight of 496.49 g/mol. Its IUPAC name is N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
PubChem CID129046497
Molecular FormulaC26H23F3N4O3
Molecular Weight496.49 g/mol
Exact Mass496.17
IUPAC NameN-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccco2)CC1)c1ccc(-c2ccncc2)o1
InChIInChI=1S/C26H23F3N4O3/c27-26(28,29)19-3-4-22(33-13-11-32(12-14-33)17-20-2-1-15-35-20)21(16-19)31-25(34)24-6-5-23(36-24)18-7-9-30-10-8-18/h1-10,15-16H,11-14,17H2,(H,31,34)
InChIKeyYEZNTYUEXWTKKH-UHFFFAOYSA-N
XLogP5.53
TPSA74.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.49
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The IUPAC name of N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide (CID 129046497) is N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The canonical SMILES for N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccco2)CC1)c1ccc(-c2ccncc2)o1.
What is the InChIKey of N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The InChIKey is YEZNTYUEXWTKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O3/c27-26(28,29)19-3-4-22(33-13-11-32(12-14-33)17-20-2-1-15-35-20)21(16-19)31-25(34)24-6-5-23(36-24)18-7-9-30-10-8-18/h1-10,15-16H,11-14,17H2,(H,31,34).
What are the key properties of N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide has a molecular weight of 496.49 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 129046497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).