1-methylsulfonyl-N-(5-phenyl-1H-pyrazol-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide

C23H25N5O3S — CID 45481798

IUPAC1-methylsulfonyl-N-(5-phenyl-1H-pyrazol-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2ccccc21
InChIInChI=1S/C23H25N5O3S/c1-32(30,31)28-16-23(18-9-5-6-10-20(18)28)11-13-27(14-12-23)22(29)24-21-15-19(25-26-21)17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3,(H2,24,25,26,29)
InChIKeyUQMCXVQGPKQZBJ-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.42
Rot. Bonds3

About 1-methylsulfonyl-N-(5-phenyl-1H-pyrazol-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide

1-methylsulfonyl-N-(5-phenyl-1H-pyrazol-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 45481798) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(5-phenyl-1H-pyrazol-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(5-phenyl-1H-pyrazol-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
PubChem CID45481798
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC Name1-methylsulfonyl-N-(5-phenyl-1H-pyrazol-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2ccccc21
InChIInChI=1S/C23H25N5O3S/c1-32(30,31)28-16-23(18-9-5-6-10-20(18)28)11-13-27(14-12-23)22(29)24-21-15-19(25-26-21)17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3,(H2,24,25,26,29)
InChIKeyUQMCXVQGPKQZBJ-UHFFFAOYSA-N
XLogP3.42
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(5-phenyl-1H-pyrazol-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(5-phenyl-1H-pyrazol-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide (CID 45481798) is 1-methylsulfonyl-N-(5-phenyl-1H-pyrazol-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(5-phenyl-1H-pyrazol-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(5-phenyl-1H-pyrazol-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide is CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2ccccc21.
What is the InChIKey of 1-methylsulfonyl-N-(5-phenyl-1H-pyrazol-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is UQMCXVQGPKQZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-32(30,31)28-16-23(18-9-5-6-10-20(18)28)11-13-27(14-12-23)22(29)24-21-15-19(25-26-21)17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3,(H2,24,25,26,29).
What are the key properties of 1-methylsulfonyl-N-(5-phenyl-1H-pyrazol-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
1-methylsulfonyl-N-(5-phenyl-1H-pyrazol-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(5-phenyl-1H-pyrazol-3-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 45481798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).