N-[4-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide

C22H21N5O3S — CID 42940713

About N-[4-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide

N-[4-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 42940713) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[4-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
• PubChem CID: 42940713
• Molecular Formula: C22H21N5O3S
• Molecular Weight: 435.51 g/mol
• Exact Mass: 435.14
• IUPAC Name: N-[4-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
• SMILES: Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCCC(c2nnc3ccccn23)C1
• InChI: InChI=1S/C22H21N5O3S/c1-14-12-18(23-21(28)16-7-5-11-30-16)31-19(14)22(29)26-9-4-6-15(13-26)20-25-24-17-8-2-3-10-27(17)20/h2-3,5,7-8,10-12,15H,4,6,9,13H2,1H3,(H,23,28)
• InChIKey: DUUDDRFIXXIEFT-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 92.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.51
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[4-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide (CID 42940713) is N-[4-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[4-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[4-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCCC(c2nnc3ccccn23)C1.

What is the InChIKey of N-[4-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?

The InChIKey is DUUDDRFIXXIEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-14-12-18(23-21(28)16-7-5-11-30-16)31-19(14)22(29)26-9-4-6-15(13-26)20-25-24-17-8-2-3-10-27(17)20/h2-3,5,7-8,10-12,15H,4,6,9,13H2,1H3,(H,23,28).

What are the key properties of N-[4-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?

N-[4-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-5-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 42940713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).