1-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C25H27N5O4 — CID 55816497

IUPAC1-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(CC(=O)N3N=C(c4ccco4)CC3c3ccco3)CC2)c1
InChIInChI=1S/C25H27N5O4/c1-17-6-9-26-23(14-17)27-25(32)18-7-10-29(11-8-18)16-24(31)30-20(22-5-3-13-34-22)15-19(28-30)21-4-2-12-33-21/h2-6,9,12-14,18,20H,7-8,10-11,15-16H2,1H3,(H,26,27,32)
InChIKeyRSLHDJHXQMOBCS-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.60
Rot. Bonds6

About 1-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55816497) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is 1-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55816497
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name1-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(CC(=O)N3N=C(c4ccco4)CC3c3ccco3)CC2)c1
InChIInChI=1S/C25H27N5O4/c1-17-6-9-26-23(14-17)27-25(32)18-7-10-29(11-8-18)16-24(31)30-20(22-5-3-13-34-22)15-19(28-30)21-4-2-12-33-21/h2-6,9,12-14,18,20H,7-8,10-11,15-16H2,1H3,(H,26,27,32)
InChIKeyRSLHDJHXQMOBCS-UHFFFAOYSA-N
XLogP3.60
TPSA104.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55816497) is 1-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(CC(=O)N3N=C(c4ccco4)CC3c3ccco3)CC2)c1.
What is the InChIKey of 1-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is RSLHDJHXQMOBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-17-6-9-26-23(14-17)27-25(32)18-7-10-29(11-8-18)16-24(31)30-20(22-5-3-13-34-22)15-19(28-30)21-4-2-12-33-21/h2-6,9,12-14,18,20H,7-8,10-11,15-16H2,1H3,(H,26,27,32).
What are the key properties of 1-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55816497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).