N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide

C26H25F3N6O2 — CID 129032606

IUPACN-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
SMILESCn1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccc(-c4ccncc4)o3)CC2)n1
InChIInChI=1S/C26H25F3N6O2/c1-33-11-8-20(32-33)17-34-12-14-35(15-13-34)22-3-2-19(26(27,28)29)16-21(22)31-25(36)24-5-4-23(37-24)18-6-9-30-10-7-18/h2-11,16H,12-15,17H2,1H3,(H,31,36)
InChIKeyKLMOANGVWGFFMF-UHFFFAOYSA-N
MW510.52 g/mol
LogP4.67
Rot. Bonds6

About N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide

N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide (PubChem CID 129032606) has the molecular formula C26H25F3N6O2 and a molecular weight of 510.52 g/mol. Its IUPAC name is N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
PubChem CID129032606
Molecular FormulaC26H25F3N6O2
Molecular Weight510.52 g/mol
Exact Mass510.20
IUPAC NameN-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
SMILESCn1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccc(-c4ccncc4)o3)CC2)n1
InChIInChI=1S/C26H25F3N6O2/c1-33-11-8-20(32-33)17-34-12-14-35(15-13-34)22-3-2-19(26(27,28)29)16-21(22)31-25(36)24-5-4-23(37-24)18-6-9-30-10-7-18/h2-11,16H,12-15,17H2,1H3,(H,31,36)
InChIKeyKLMOANGVWGFFMF-UHFFFAOYSA-N
XLogP4.67
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.52
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The IUPAC name of N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide (CID 129032606) is N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The canonical SMILES for N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide is Cn1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccc(-c4ccncc4)o3)CC2)n1.
What is the InChIKey of N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The InChIKey is KLMOANGVWGFFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O2/c1-33-11-8-20(32-33)17-34-12-14-35(15-13-34)22-3-2-19(26(27,28)29)16-21(22)31-25(36)24-5-4-23(37-24)18-6-9-30-10-7-18/h2-11,16H,12-15,17H2,1H3,(H,31,36).
What are the key properties of N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide has a molecular weight of 510.52 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 129032606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).