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

C25H30N4O2S — CID 42318057

IUPACN-[(1R,2R)-1'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(Cc1cnn(C)c1C)CC2
InChIInChI=1S/C25H30N4O2S/c1-17-19(14-26-28(17)2)15-29-11-9-25(10-12-29)21-7-5-4-6-20(21)22(23(25)31-3)27-24(30)18-8-13-32-16-18/h4-8,13-14,16,22-23H,9-12,15H2,1-3H3,(H,27,30)/t22-,23+/m1/s1
InChIKeyHZHAHVHTBGPAMC-PKTZIBPZSA-N
MW450.61 g/mol
LogP3.82
Rot. Bonds5

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

N-[(1R,2R)-1'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide (PubChem CID 42318057) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is N-[(1R,2R)-1'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-1'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
PubChem CID42318057
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC NameN-[(1R,2R)-1'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(Cc1cnn(C)c1C)CC2
InChIInChI=1S/C25H30N4O2S/c1-17-19(14-26-28(17)2)15-29-11-9-25(10-12-29)21-7-5-4-6-20(21)22(23(25)31-3)27-24(30)18-8-13-32-16-18/h4-8,13-14,16,22-23H,9-12,15H2,1-3H3,(H,27,30)/t22-,23+/m1/s1
InChIKeyHZHAHVHTBGPAMC-PKTZIBPZSA-N
XLogP3.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R)-1'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(1R,2R)-1'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide (CID 42318057) is N-[(1R,2R)-1'-[(1,5-dimethylpyrazol-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'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-1'-[(1,5-dimethylpyrazol-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(Cc1cnn(C)c1C)CC2.
What is the InChIKey of N-[(1R,2R)-1'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
The InChIKey is HZHAHVHTBGPAMC-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-17-19(14-26-28(17)2)15-29-11-9-25(10-12-29)21-7-5-4-6-20(21)22(23(25)31-3)27-24(30)18-8-13-32-16-18/h4-8,13-14,16,22-23H,9-12,15H2,1-3H3,(H,27,30)/t22-,23+/m1/s1.
What are the key properties of N-[(1R,2R)-1'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
N-[(1R,2R)-1'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide has a molecular weight of 450.61 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide is sourced from PubChem (CID 42318057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).