N-[(1R,2R)-2-methoxy-1'-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide

C24H34N4O2S — CID 42483483

IUPACN-[(1R,2R)-2-methoxy-1'-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
SMILESCO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CCN(Cc1cc(C(C)C)n[nH]1)CC2
InChIInChI=1S/C24H34N4O2S/c1-16(2)20-13-17(26-27-20)14-28-11-9-24(10-12-28)19-8-6-5-7-18(19)22(23(24)30-3)25-21(29)15-31-4/h5-8,13,16,22-23H,9-12,14-15H2,1-4H3,(H,25,29)(H,26,27)/t22-,23+/m1/s1
InChIKeyICWORGFUBXCUHO-PKTZIBPZSA-N
MW442.63 g/mol
LogP3.62
Rot. Bonds7

About N-[(1R,2R)-2-methoxy-1'-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide

N-[(1R,2R)-2-methoxy-1'-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide (PubChem CID 42483483) has the molecular formula C24H34N4O2S and a molecular weight of 442.63 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxy-1'-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxy-1'-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
PubChem CID42483483
Molecular FormulaC24H34N4O2S
Molecular Weight442.63 g/mol
Exact Mass442.24
IUPAC NameN-[(1R,2R)-2-methoxy-1'-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
SMILESCO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CCN(Cc1cc(C(C)C)n[nH]1)CC2
InChIInChI=1S/C24H34N4O2S/c1-16(2)20-13-17(26-27-20)14-28-11-9-24(10-12-28)19-8-6-5-7-18(19)22(23(24)30-3)25-21(29)15-31-4/h5-8,13,16,22-23H,9-12,14-15H2,1-4H3,(H,25,29)(H,26,27)/t22-,23+/m1/s1
InChIKeyICWORGFUBXCUHO-PKTZIBPZSA-N
XLogP3.62
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R)-2-methoxy-1'-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxy-1'-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide?
The IUPAC name of N-[(1R,2R)-2-methoxy-1'-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide (CID 42483483) is N-[(1R,2R)-2-methoxy-1'-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxy-1'-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[(1R,2R)-2-methoxy-1'-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide is CO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CCN(Cc1cc(C(C)C)n[nH]1)CC2.
What is the InChIKey of N-[(1R,2R)-2-methoxy-1'-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide?
The InChIKey is ICWORGFUBXCUHO-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H34N4O2S/c1-16(2)20-13-17(26-27-20)14-28-11-9-24(10-12-28)19-8-6-5-7-18(19)22(23(24)30-3)25-21(29)15-31-4/h5-8,13,16,22-23H,9-12,14-15H2,1-4H3,(H,25,29)(H,26,27)/t22-,23+/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxy-1'-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide?
N-[(1R,2R)-2-methoxy-1'-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide has a molecular weight of 442.63 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxy-1'-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide is sourced from PubChem (CID 42483483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).