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

C25H27N5O2S2 — CID 55816493

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

1-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55816493) has the molecular formula C25H27N5O2S2 and a molecular weight of 493.66 g/mol. Its IUPAC name is 1-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
• PubChem CID: 55816493
• Molecular Formula: C25H27N5O2S2
• Molecular Weight: 493.66 g/mol
• Exact Mass: 493.16
• IUPAC Name: 1-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
• SMILES: Cc1ccnc(NC(=O)C2CCN(CC(=O)N3N=C(c4cccs4)CC3c3cccs3)CC2)c1
• InChI: InChI=1S/C25H27N5O2S2/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)
• InChIKey: LNWABLAHYCJPEB-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 77.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.66
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dithiophen-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-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55816493) is 1-[2-(3,5-dithiophen-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-dithiophen-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-dithiophen-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(c4cccs4)CC3c3cccs3)CC2)c1.

What is the InChIKey of 1-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?

The InChIKey is LNWABLAHYCJPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2S2/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-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?

1-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 493.66 g/mol, XLogP of 4.54, 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-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55816493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).