(5S)-7-[2-[(4,4-dimethyl-3-oxo-2,8-dihydro-1H-cyclohepta[b]pyridin-7-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-2,7-diazaspiro[4.4]nonane-1,3-dione

C24H26N8O3 — CID 134356606

IUPAC(5S)-7-[2-[(4,4-dimethyl-3-oxo-2,8-dihydro-1H-cyclohepta[b]pyridin-7-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCC1(C)C(=O)CNC2=CCC(Nc3nc4c(N5CC[C@]6(CC(=O)NC6=O)C5)nccn4n3)=CC=C21
InChIInChI=1S/C24H26N8O3/c1-23(2)15-5-3-14(4-6-16(15)26-12-17(23)33)27-22-29-20-19(25-8-10-32(20)30-22)31-9-7-24(13-31)11-18(34)28-21(24)35/h3,5-6,8,10,26H,4,7,9,11-13H2,1-2H3,(H,27,30)(H,28,34,35)/t24-/m0/s1
InChIKeyAQEMTUOYCCVZHZ-DEOSSOPVSA-N
MW474.53 g/mol
LogP1.08
Rot. Bonds3

About (5S)-7-[2-[(4,4-dimethyl-3-oxo-2,8-dihydro-1H-cyclohepta[b]pyridin-7-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-2,7-diazaspiro[4.4]nonane-1,3-dione

(5S)-7-[2-[(4,4-dimethyl-3-oxo-2,8-dihydro-1H-cyclohepta[b]pyridin-7-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-2,7-diazaspiro[4.4]nonane-1,3-dione (PubChem CID 134356606) has the molecular formula C24H26N8O3 and a molecular weight of 474.53 g/mol. Its IUPAC name is (5S)-7-[2-[(4,4-dimethyl-3-oxo-2,8-dihydro-1H-cyclohepta[b]pyridin-7-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-2,7-diazaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name(5S)-7-[2-[(4,4-dimethyl-3-oxo-2,8-dihydro-1H-cyclohepta[b]pyridin-7-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-2,7-diazaspiro[4.4]nonane-1,3-dione
PubChem CID134356606
Molecular FormulaC24H26N8O3
Molecular Weight474.53 g/mol
Exact Mass474.21
IUPAC Name(5S)-7-[2-[(4,4-dimethyl-3-oxo-2,8-dihydro-1H-cyclohepta[b]pyridin-7-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCC1(C)C(=O)CNC2=CCC(Nc3nc4c(N5CC[C@]6(CC(=O)NC6=O)C5)nccn4n3)=CC=C21
InChIInChI=1S/C24H26N8O3/c1-23(2)15-5-3-14(4-6-16(15)26-12-17(23)33)27-22-29-20-19(25-8-10-32(20)30-22)31-9-7-24(13-31)11-18(34)28-21(24)35/h3,5-6,8,10,26H,4,7,9,11-13H2,1-2H3,(H,27,30)(H,28,34,35)/t24-/m0/s1
InChIKeyAQEMTUOYCCVZHZ-DEOSSOPVSA-N
XLogP1.08
TPSA133.62 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (5S)-7-[2-[(4,4-dimethyl-3-oxo-2,8-dihydro-1H-cyclohepta[b]pyridin-7-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-2,7-diazaspiro[4.4]nonane-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-[2-[(4,4-dimethyl-3-oxo-2,8-dihydro-1H-cyclohepta[b]pyridin-7-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The IUPAC name of (5S)-7-[2-[(4,4-dimethyl-3-oxo-2,8-dihydro-1H-cyclohepta[b]pyridin-7-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-2,7-diazaspiro[4.4]nonane-1,3-dione (CID 134356606) is (5S)-7-[2-[(4,4-dimethyl-3-oxo-2,8-dihydro-1H-cyclohepta[b]pyridin-7-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-2,7-diazaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for (5S)-7-[2-[(4,4-dimethyl-3-oxo-2,8-dihydro-1H-cyclohepta[b]pyridin-7-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for (5S)-7-[2-[(4,4-dimethyl-3-oxo-2,8-dihydro-1H-cyclohepta[b]pyridin-7-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-2,7-diazaspiro[4.4]nonane-1,3-dione is CC1(C)C(=O)CNC2=CCC(Nc3nc4c(N5CC[C@]6(CC(=O)NC6=O)C5)nccn4n3)=CC=C21.
What is the InChIKey of (5S)-7-[2-[(4,4-dimethyl-3-oxo-2,8-dihydro-1H-cyclohepta[b]pyridin-7-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The InChIKey is AQEMTUOYCCVZHZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26N8O3/c1-23(2)15-5-3-14(4-6-16(15)26-12-17(23)33)27-22-29-20-19(25-8-10-32(20)30-22)31-9-7-24(13-31)11-18(34)28-21(24)35/h3,5-6,8,10,26H,4,7,9,11-13H2,1-2H3,(H,27,30)(H,28,34,35)/t24-/m0/s1.
What are the key properties of (5S)-7-[2-[(4,4-dimethyl-3-oxo-2,8-dihydro-1H-cyclohepta[b]pyridin-7-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
(5S)-7-[2-[(4,4-dimethyl-3-oxo-2,8-dihydro-1H-cyclohepta[b]pyridin-7-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-2,7-diazaspiro[4.4]nonane-1,3-dione has a molecular weight of 474.53 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[2-[(4,4-dimethyl-3-oxo-2,8-dihydro-1H-cyclohepta[b]pyridin-7-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-2,7-diazaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 134356606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).