N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

C24H27N7OS — CID 32842579

About N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 32842579) has the molecular formula C24H27N7OS and a molecular weight of 461.60 g/mol. Its IUPAC name is N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
• PubChem CID: 32842579
• Molecular Formula: C24H27N7OS
• Molecular Weight: 461.60 g/mol
• Exact Mass: 461.20
• IUPAC Name: N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
• SMILES: CCCc1ccc([C@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c2cccs2)cc1
• InChI: InChI=1S/C24H27N7OS/c1-2-4-17-6-8-18(9-7-17)23(20-5-3-16-33-20)25-24(32)19-12-14-30(15-13-19)22-11-10-21-26-28-29-31(21)27-22/h3,5-11,16,19,23H,2,4,12-15H2,1H3,(H,25,32)/t23-/m0/s1
• InChIKey: QBDJYBAACLHUNU-QHCPKHFHSA-N
• XLogP: 3.66
• TPSA: 88.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.60
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?

The IUPAC name of N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 32842579) is N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

What is the SMILES notation for N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?

The canonical SMILES for N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is CCCc1ccc([C@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c2cccs2)cc1.

What is the InChIKey of N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?

The InChIKey is QBDJYBAACLHUNU-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27N7OS/c1-2-4-17-6-8-18(9-7-17)23(20-5-3-16-33-20)25-24(32)19-12-14-30(15-13-19)22-11-10-21-26-28-29-31(21)27-22/h3,5-11,16,19,23H,2,4,12-15H2,1H3,(H,25,32)/t23-/m0/s1.

What are the key properties of N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?

N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 461.60 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 32842579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).