1'-[(3-methyl-2-pyridinyl)methyl]-1-(2-phenyl-1,3-thiazol-4-yl)spiro[indole-3,4'-piperidine]-2-one

C28H26N4OS — CID 25172882

IUPAC1'-[(3-methyl-2-pyridinyl)methyl]-1-(2-phenyl-1,3-thiazol-4-yl)spiro[indole-3,4'-piperidine]-2-one
SMILESCc1cccnc1CN1CCC2(CC1)C(=O)N(c1csc(-c3ccccc3)n1)c1ccccc12
InChIInChI=1S/C28H26N4OS/c1-20-8-7-15-29-23(20)18-31-16-13-28(14-17-31)22-11-5-6-12-24(22)32(27(28)33)25-19-34-26(30-25)21-9-3-2-4-10-21/h2-12,15,19H,13-14,16-18H2,1H3
InChIKeyUHNIPBIJIDDRBO-UHFFFAOYSA-N
MW466.61 g/mol
LogP5.73
Rot. Bonds4

About 1'-[(3-methyl-2-pyridinyl)methyl]-1-(2-phenyl-1,3-thiazol-4-yl)spiro[indole-3,4'-piperidine]-2-one

1'-[(3-methyl-2-pyridinyl)methyl]-1-(2-phenyl-1,3-thiazol-4-yl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 25172882) has the molecular formula C28H26N4OS and a molecular weight of 466.61 g/mol. Its IUPAC name is 1'-[(3-methyl-2-pyridinyl)methyl]-1-(2-phenyl-1,3-thiazol-4-yl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(3-methyl-2-pyridinyl)methyl]-1-(2-phenyl-1,3-thiazol-4-yl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID25172882
Molecular FormulaC28H26N4OS
Molecular Weight466.61 g/mol
Exact Mass466.18
IUPAC Name1'-[(3-methyl-2-pyridinyl)methyl]-1-(2-phenyl-1,3-thiazol-4-yl)spiro[indole-3,4'-piperidine]-2-one
SMILESCc1cccnc1CN1CCC2(CC1)C(=O)N(c1csc(-c3ccccc3)n1)c1ccccc12
InChIInChI=1S/C28H26N4OS/c1-20-8-7-15-29-23(20)18-31-16-13-28(14-17-31)22-11-5-6-12-24(22)32(27(28)33)25-19-34-26(30-25)21-9-3-2-4-10-21/h2-12,15,19H,13-14,16-18H2,1H3
InChIKeyUHNIPBIJIDDRBO-UHFFFAOYSA-N
XLogP5.73
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.61
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[(3-methyl-2-pyridinyl)methyl]-1-(2-phenyl-1,3-thiazol-4-yl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(3-methyl-2-pyridinyl)methyl]-1-(2-phenyl-1,3-thiazol-4-yl)spiro[indole-3,4'-piperidine]-2-one (CID 25172882) is 1'-[(3-methyl-2-pyridinyl)methyl]-1-(2-phenyl-1,3-thiazol-4-yl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(3-methyl-2-pyridinyl)methyl]-1-(2-phenyl-1,3-thiazol-4-yl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(3-methyl-2-pyridinyl)methyl]-1-(2-phenyl-1,3-thiazol-4-yl)spiro[indole-3,4'-piperidine]-2-one is Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1csc(-c3ccccc3)n1)c1ccccc12.
What is the InChIKey of 1'-[(3-methyl-2-pyridinyl)methyl]-1-(2-phenyl-1,3-thiazol-4-yl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is UHNIPBIJIDDRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4OS/c1-20-8-7-15-29-23(20)18-31-16-13-28(14-17-31)22-11-5-6-12-24(22)32(27(28)33)25-19-34-26(30-25)21-9-3-2-4-10-21/h2-12,15,19H,13-14,16-18H2,1H3.
What are the key properties of 1'-[(3-methyl-2-pyridinyl)methyl]-1-(2-phenyl-1,3-thiazol-4-yl)spiro[indole-3,4'-piperidine]-2-one?
1'-[(3-methyl-2-pyridinyl)methyl]-1-(2-phenyl-1,3-thiazol-4-yl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 466.61 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3-methyl-2-pyridinyl)methyl]-1-(2-phenyl-1,3-thiazol-4-yl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 25172882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).