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

C27H25F3N4O3 — CID 129032608

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

N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide (PubChem CID 129032608) has the molecular formula C27H25F3N4O3 and a molecular weight of 510.52 g/mol. Its IUPAC name is N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
• PubChem CID: 129032608
• Molecular Formula: C27H25F3N4O3
• Molecular Weight: 510.52 g/mol
• Exact Mass: 510.19
• IUPAC Name: N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
• SMILES: Cc1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccc(-c4ccncc4)o3)CC2)o1
• InChI: InChI=1S/C27H25F3N4O3/c1-18-2-4-21(36-18)17-33-12-14-34(15-13-33)23-5-3-20(27(28,29)30)16-22(23)32-26(35)25-7-6-24(37-25)19-8-10-31-11-9-19/h2-11,16H,12-15,17H2,1H3,(H,32,35)
• InChIKey: PVNFHDUJWZPDNI-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 74.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.52
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?

The IUPAC name of N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide (CID 129032608) is N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide.

What is the SMILES notation for N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?

The canonical SMILES for N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide is Cc1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccc(-c4ccncc4)o3)CC2)o1.

What is the InChIKey of N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?

The InChIKey is PVNFHDUJWZPDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O3/c1-18-2-4-21(36-18)17-33-12-14-34(15-13-33)23-5-3-20(27(28,29)30)16-22(23)32-26(35)25-7-6-24(37-25)19-8-10-31-11-9-19/h2-11,16H,12-15,17H2,1H3,(H,32,35).

What are the key properties of N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?

N-[2-[4-[(5-methylfuran-2-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 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 129032608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).