N-[(1R,2R)-1'-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide

C28H36N4O2S — CID 42246300

About N-[(1R,2R)-1'-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide

N-[(1R,2R)-1'-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide (PubChem CID 42246300) has the molecular formula C28H36N4O2S and a molecular weight of 492.69 g/mol. Its IUPAC name is N-[(1R,2R)-1'-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-1'-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
• PubChem CID: 42246300
• Molecular Formula: C28H36N4O2S
• Molecular Weight: 492.69 g/mol
• Exact Mass: 492.26
• IUPAC Name: N-[(1R,2R)-1'-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
• SMILES: CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(Cc1c(C)nn(C(C)C)c1C)CC2
• InChI: InChI=1S/C28H36N4O2S/c1-18(2)32-20(4)23(19(3)30-32)16-31-13-11-28(12-14-31)24-9-7-6-8-22(24)25(26(28)34-5)29-27(33)21-10-15-35-17-21/h6-10,15,17-18,25-26H,11-14,16H2,1-5H3,(H,29,33)/t25-,26+/m1/s1
• InChIKey: GSSIHKMGXGZVGR-FTJBHMTQSA-N
• XLogP: 5.18
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.69
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1'-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?

The IUPAC name of N-[(1R,2R)-1'-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide (CID 42246300) is N-[(1R,2R)-1'-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide.

What is the SMILES notation for N-[(1R,2R)-1'-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?

The canonical SMILES for N-[(1R,2R)-1'-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide is CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(Cc1c(C)nn(C(C)C)c1C)CC2.

What is the InChIKey of N-[(1R,2R)-1'-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?

The InChIKey is GSSIHKMGXGZVGR-FTJBHMTQSA-N. The full InChI is InChI=1S/C28H36N4O2S/c1-18(2)32-20(4)23(19(3)30-32)16-31-13-11-28(12-14-31)24-9-7-6-8-22(24)25(26(28)34-5)29-27(33)21-10-15-35-17-21/h6-10,15,17-18,25-26H,11-14,16H2,1-5H3,(H,29,33)/t25-,26+/m1/s1.

What are the key properties of N-[(1R,2R)-1'-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?

N-[(1R,2R)-1'-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide has a molecular weight of 492.69 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-1'-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide is sourced from PubChem (CID 42246300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).