1'-methyl-5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one

C27H24N8O — CID 57403297

IUPAC1'-methyl-5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCN1CCC2(CC1)C(=O)Nc1ccc(-c3cnc4nnn(Cc5ccc6ncccc6c5)c4n3)cc12
InChIInChI=1S/C27H24N8O/c1-34-11-8-27(9-12-34)20-14-19(5-7-22(20)31-26(27)36)23-15-29-24-25(30-23)35(33-32-24)16-17-4-6-21-18(13-17)3-2-10-28-21/h2-7,10,13-15H,8-9,11-12,16H2,1H3,(H,31,36)
InChIKeyAWRXYFXRLWUVLZ-UHFFFAOYSA-N
MW476.54 g/mol
LogP3.40
Rot. Bonds3

About 1'-methyl-5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one

1'-methyl-5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 57403297) has the molecular formula C27H24N8O and a molecular weight of 476.54 g/mol. Its IUPAC name is 1'-methyl-5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-methyl-5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID57403297
Molecular FormulaC27H24N8O
Molecular Weight476.54 g/mol
Exact Mass476.21
IUPAC Name1'-methyl-5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCN1CCC2(CC1)C(=O)Nc1ccc(-c3cnc4nnn(Cc5ccc6ncccc6c5)c4n3)cc12
InChIInChI=1S/C27H24N8O/c1-34-11-8-27(9-12-34)20-14-19(5-7-22(20)31-26(27)36)23-15-29-24-25(30-23)35(33-32-24)16-17-4-6-21-18(13-17)3-2-10-28-21/h2-7,10,13-15H,8-9,11-12,16H2,1H3,(H,31,36)
InChIKeyAWRXYFXRLWUVLZ-UHFFFAOYSA-N
XLogP3.40
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1'-methyl-5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-methyl-5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-methyl-5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 57403297) is 1'-methyl-5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-methyl-5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-methyl-5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one is CN1CCC2(CC1)C(=O)Nc1ccc(-c3cnc4nnn(Cc5ccc6ncccc6c5)c4n3)cc12.
What is the InChIKey of 1'-methyl-5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is AWRXYFXRLWUVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O/c1-34-11-8-27(9-12-34)20-14-19(5-7-22(20)31-26(27)36)23-15-29-24-25(30-23)35(33-32-24)16-17-4-6-21-18(13-17)3-2-10-28-21/h2-7,10,13-15H,8-9,11-12,16H2,1H3,(H,31,36).
What are the key properties of 1'-methyl-5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one?
1'-methyl-5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 476.54 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 57403297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).