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

C24H25N5O3S — CID 44573575

IUPAC1-methylsulfonyl-N-(2-phenylpyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccnc(-c4ccccc4)n3)CC2)c2ccccc21
InChIInChI=1S/C24H25N5O3S/c1-33(31,32)29-17-24(19-9-5-6-10-20(19)29)12-15-28(16-13-24)23(30)27-21-11-14-25-22(26-21)18-7-3-2-4-8-18/h2-11,14H,12-13,15-17H2,1H3,(H,25,26,27,30)
InChIKeyPTJRIGCPCSVSQH-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.49
Rot. Bonds3

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

1-methylsulfonyl-N-(2-phenylpyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 44573575) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2-phenylpyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2-phenylpyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
PubChem CID44573575
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name1-methylsulfonyl-N-(2-phenylpyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccnc(-c4ccccc4)n3)CC2)c2ccccc21
InChIInChI=1S/C24H25N5O3S/c1-33(31,32)29-17-24(19-9-5-6-10-20(19)29)12-15-28(16-13-24)23(30)27-21-11-14-25-22(26-21)18-7-3-2-4-8-18/h2-11,14H,12-13,15-17H2,1H3,(H,25,26,27,30)
InChIKeyPTJRIGCPCSVSQH-UHFFFAOYSA-N
XLogP3.49
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2-phenylpyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(2-phenylpyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide (CID 44573575) is 1-methylsulfonyl-N-(2-phenylpyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(2-phenylpyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(2-phenylpyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide is CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccnc(-c4ccccc4)n3)CC2)c2ccccc21.
What is the InChIKey of 1-methylsulfonyl-N-(2-phenylpyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is PTJRIGCPCSVSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-33(31,32)29-17-24(19-9-5-6-10-20(19)29)12-15-28(16-13-24)23(30)27-21-11-14-25-22(26-21)18-7-3-2-4-8-18/h2-11,14H,12-13,15-17H2,1H3,(H,25,26,27,30).
What are the key properties of 1-methylsulfonyl-N-(2-phenylpyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
1-methylsulfonyl-N-(2-phenylpyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2-phenylpyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 44573575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).