5-(4-fluorophenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide

C22H24FN5O2 — CID 69161310

IUPAC5-(4-fluorophenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide
SMILESCC(CN1CCN(c2ncccn2)CC1)NC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H24FN5O2/c1-16(15-27-11-13-28(14-12-27)22-24-9-2-10-25-22)26-21(29)20-8-7-19(30-20)17-3-5-18(23)6-4-17/h2-10,16H,11-15H2,1H3,(H,26,29)
InChIKeyKQXSZYZCUVVVOD-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.82
Rot. Bonds6

About 5-(4-fluorophenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide

5-(4-fluorophenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide (PubChem CID 69161310) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide
PubChem CID69161310
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name5-(4-fluorophenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide
SMILESCC(CN1CCN(c2ncccn2)CC1)NC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H24FN5O2/c1-16(15-27-11-13-28(14-12-27)22-24-9-2-10-25-22)26-21(29)20-8-7-19(30-20)17-3-5-18(23)6-4-17/h2-10,16H,11-15H2,1H3,(H,26,29)
InChIKeyKQXSZYZCUVVVOD-UHFFFAOYSA-N
XLogP2.82
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide (CID 69161310) is 5-(4-fluorophenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide is CC(CN1CCN(c2ncccn2)CC1)NC(=O)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide?
The InChIKey is KQXSZYZCUVVVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-16(15-27-11-13-28(14-12-27)22-24-9-2-10-25-22)26-21(29)20-8-7-19(30-20)17-3-5-18(23)6-4-17/h2-10,16H,11-15H2,1H3,(H,26,29).
What are the key properties of 5-(4-fluorophenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide?
5-(4-fluorophenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 69161310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).