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

C27H24F3N5O2 — CID 118464581

IUPAC5-pyridin-4-yl-N-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccncc2)CC1)c1ccc(-c2ccncc2)o1
InChIInChI=1S/C27H24F3N5O2/c28-27(29,30)21-1-2-23(35-15-13-34(14-16-35)18-19-5-9-31-10-6-19)22(17-21)33-26(36)25-4-3-24(37-25)20-7-11-32-12-8-20/h1-12,17H,13-16,18H2,(H,33,36)
InChIKeyBCFZWBFTRXELQU-UHFFFAOYSA-N
MW507.52 g/mol
LogP5.33
Rot. Bonds6

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

5-pyridin-4-yl-N-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 118464581) has the molecular formula C27H24F3N5O2 and a molecular weight of 507.52 g/mol. Its IUPAC name is 5-pyridin-4-yl-N-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-pyridin-4-yl-N-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID118464581
Molecular FormulaC27H24F3N5O2
Molecular Weight507.52 g/mol
Exact Mass507.19
IUPAC Name5-pyridin-4-yl-N-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccncc2)CC1)c1ccc(-c2ccncc2)o1
InChIInChI=1S/C27H24F3N5O2/c28-27(29,30)21-1-2-23(35-15-13-34(14-16-35)18-19-5-9-31-10-6-19)22(17-21)33-26(36)25-4-3-24(37-25)20-7-11-32-12-8-20/h1-12,17H,13-16,18H2,(H,33,36)
InChIKeyBCFZWBFTRXELQU-UHFFFAOYSA-N
XLogP5.33
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.52
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 73672855
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CID 852714
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CID 11692969
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CID 16727410
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CID 42606572
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CID 46935872
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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-N-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-pyridin-4-yl-N-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 118464581) is 5-pyridin-4-yl-N-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-pyridin-4-yl-N-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-pyridin-4-yl-N-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccncc2)CC1)c1ccc(-c2ccncc2)o1.
What is the InChIKey of 5-pyridin-4-yl-N-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is BCFZWBFTRXELQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O2/c28-27(29,30)21-1-2-23(35-15-13-34(14-16-35)18-19-5-9-31-10-6-19)22(17-21)33-26(36)25-4-3-24(37-25)20-7-11-32-12-8-20/h1-12,17H,13-16,18H2,(H,33,36).
What are the key properties of 5-pyridin-4-yl-N-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
5-pyridin-4-yl-N-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 507.52 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-N-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 118464581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).