[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-pyridin-3-ylmethanone

C23H26N4O2 — CID 67740056

IUPAC[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-pyridin-3-ylmethanone
SMILESCC(C)C[C@H]1CN(c2cc(C(=O)c3cccnc3)c(-c3ccco3)cn2)CCN1
InChIInChI=1S/C23H26N4O2/c1-16(2)11-18-15-27(9-8-25-18)22-12-19(23(28)17-5-3-7-24-13-17)20(14-26-22)21-6-4-10-29-21/h3-7,10,12-14,16,18,25H,8-9,11,15H2,1-2H3/t18-/m0/s1
InChIKeyUUGIIRUXZVULTP-SFHVURJKSA-N
MW390.49 g/mol
LogP3.79
Rot. Bonds6

About [5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-pyridin-3-ylmethanone

[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-pyridin-3-ylmethanone (PubChem CID 67740056) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is [5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-pyridin-3-ylmethanone
PubChem CID67740056
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-pyridin-3-ylmethanone
SMILESCC(C)C[C@H]1CN(c2cc(C(=O)c3cccnc3)c(-c3ccco3)cn2)CCN1
InChIInChI=1S/C23H26N4O2/c1-16(2)11-18-15-27(9-8-25-18)22-12-19(23(28)17-5-3-7-24-13-17)20(14-26-22)21-6-4-10-29-21/h3-7,10,12-14,16,18,25H,8-9,11,15H2,1-2H3/t18-/m0/s1
InChIKeyUUGIIRUXZVULTP-SFHVURJKSA-N
XLogP3.79
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-pyridin-3-ylmethanone?
The IUPAC name of [5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-pyridin-3-ylmethanone (CID 67740056) is [5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-pyridin-3-ylmethanone?
The canonical SMILES for [5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-pyridin-3-ylmethanone is CC(C)C[C@H]1CN(c2cc(C(=O)c3cccnc3)c(-c3ccco3)cn2)CCN1.
What is the InChIKey of [5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-pyridin-3-ylmethanone?
The InChIKey is UUGIIRUXZVULTP-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16(2)11-18-15-27(9-8-25-18)22-12-19(23(28)17-5-3-7-24-13-17)20(14-26-22)21-6-4-10-29-21/h3-7,10,12-14,16,18,25H,8-9,11,15H2,1-2H3/t18-/m0/s1.
What are the key properties of [5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-pyridin-3-ylmethanone?
[5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-pyridin-3-ylmethanone has a molecular weight of 390.49 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 67740056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).