1'-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one

C20H19N5OS — CID 97400100

IUPAC1'-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(Cc2nccs2)c2ccccc2C12CCN(c1cnccn1)CC2
InChIInChI=1S/C20H19N5OS/c26-19-20(5-10-24(11-6-20)17-13-21-7-8-22-17)15-3-1-2-4-16(15)25(19)14-18-23-9-12-27-18/h1-4,7-9,12-13H,5-6,10-11,14H2
InChIKeyLXPPZIDRJNXPPP-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.02
Rot. Bonds3

About 1'-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one

1'-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 97400100) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 1'-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID97400100
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name1'-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(Cc2nccs2)c2ccccc2C12CCN(c1cnccn1)CC2
InChIInChI=1S/C20H19N5OS/c26-19-20(5-10-24(11-6-20)17-13-21-7-8-22-17)15-3-1-2-4-16(15)25(19)14-18-23-9-12-27-18/h1-4,7-9,12-13H,5-6,10-11,14H2
InChIKeyLXPPZIDRJNXPPP-UHFFFAOYSA-N
XLogP3.02
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one (CID 97400100) is 1'-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one is O=C1N(Cc2nccs2)c2ccccc2C12CCN(c1cnccn1)CC2.
What is the InChIKey of 1'-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is LXPPZIDRJNXPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c26-19-20(5-10-24(11-6-20)17-13-21-7-8-22-17)15-3-1-2-4-16(15)25(19)14-18-23-9-12-27-18/h1-4,7-9,12-13H,5-6,10-11,14H2.
What are the key properties of 1'-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
1'-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 377.47 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 97400100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).