N-(3-methyl-4-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C24H27N9OS — CID 155543109

About N-(3-methyl-4-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

N-(3-methyl-4-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 155543109) has the molecular formula C24H27N9OS and a molecular weight of 489.61 g/mol. Its IUPAC name is N-(3-methyl-4-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(3-methyl-4-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 155543109
• Molecular Formula: C24H27N9OS
• Molecular Weight: 489.61 g/mol
• Exact Mass: 489.21
• IUPAC Name: N-(3-methyl-4-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
• SMILES: Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4ccncc4C)CC3)s2)nc1
• InChI: InChI=1S/C24H27N9OS/c1-16-3-4-21(26-13-16)27-15-19-5-10-28-33(19)24-31-30-23(35-24)32-11-7-18(8-12-32)22(34)29-20-6-9-25-14-17(20)2/h3-6,9-10,13-14,18H,7-8,11-12,15H2,1-2H3,(H,26,27)(H,25,29,34)
• InChIKey: CKJUFGPGZORPDY-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 113.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.61
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The IUPAC name of N-(3-methyl-4-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 155543109) is N-(3-methyl-4-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-(3-methyl-4-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The canonical SMILES for N-(3-methyl-4-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)Nc4ccncc4C)CC3)s2)nc1.

What is the InChIKey of N-(3-methyl-4-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The InChIKey is CKJUFGPGZORPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9OS/c1-16-3-4-21(26-13-16)27-15-19-5-10-28-33(19)24-31-30-23(35-24)32-11-7-18(8-12-32)22(34)29-20-6-9-25-14-17(20)2/h3-6,9-10,13-14,18H,7-8,11-12,15H2,1-2H3,(H,26,27)(H,25,29,34).

What are the key properties of N-(3-methyl-4-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

N-(3-methyl-4-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 489.61 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methyl-4-pyridinyl)-1-[5-[5-[[(5-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 155543109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).