N-[(1R,2R)-1'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide

C24H33ClN4O2 — CID 42162365

About N-[(1R,2R)-1'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide

N-[(1R,2R)-1'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide (PubChem CID 42162365) has the molecular formula C24H33ClN4O2 and a molecular weight of 445.01 g/mol. Its IUPAC name is N-[(1R,2R)-1'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-1'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
• PubChem CID: 42162365
• Molecular Formula: C24H33ClN4O2
• Molecular Weight: 445.01 g/mol
• Exact Mass: 444.23
• IUPAC Name: N-[(1R,2R)-1'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
• SMILES: CO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CCN(Cc1c(C)nn(C)c1Cl)CC2
• InChI: InChI=1S/C24H33ClN4O2/c1-15(2)23(30)26-20-17-8-6-7-9-19(17)24(21(20)31-5)10-12-29(13-11-24)14-18-16(3)27-28(4)22(18)25/h6-9,15,20-21H,10-14H2,1-5H3,(H,26,30)/t20-,21+/m1/s1
• InChIKey: LOSRTZXKWFGBKD-RTWAWAEBSA-N
• XLogP: 3.76
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.01
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?

The IUPAC name of N-[(1R,2R)-1'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide (CID 42162365) is N-[(1R,2R)-1'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide.

What is the SMILES notation for N-[(1R,2R)-1'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?

The canonical SMILES for N-[(1R,2R)-1'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide is CO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CCN(Cc1c(C)nn(C)c1Cl)CC2.

What is the InChIKey of N-[(1R,2R)-1'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?

The InChIKey is LOSRTZXKWFGBKD-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H33ClN4O2/c1-15(2)23(30)26-20-17-8-6-7-9-19(17)24(21(20)31-5)10-12-29(13-11-24)14-18-16(3)27-28(4)22(18)25/h6-9,15,20-21H,10-14H2,1-5H3,(H,26,30)/t20-,21+/m1/s1.

What are the key properties of N-[(1R,2R)-1'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?

N-[(1R,2R)-1'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide has a molecular weight of 445.01 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-1'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide is sourced from PubChem (CID 42162365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).