6-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-4-hydroxy-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-2-one

C22H23N9O3 — CID 134356334

IUPAC6-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-4-hydroxy-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-2-one
SMILESCC1(C)C(=O)Nc2cc(Nc3nc4c(N5CCC6=C(C5)C(O)NC(=O)N6)nccn4n3)ccc21
InChIInChI=1S/C22H23N9O3/c1-22(2)13-4-3-11(9-15(13)25-19(22)33)24-20-27-17-16(23-6-8-31(17)29-20)30-7-5-14-12(10-30)18(32)28-21(34)26-14/h3-4,6,8-9,18,32H,5,7,10H2,1-2H3,(H,24,29)(H,25,33)(H2,26,28,34)
InChIKeyHEPGMADJRXQFRU-UHFFFAOYSA-N
MW461.49 g/mol
LogP1.19
Rot. Bonds3

About 6-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-4-hydroxy-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-2-one

6-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-4-hydroxy-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-2-one (PubChem CID 134356334) has the molecular formula C22H23N9O3 and a molecular weight of 461.49 g/mol. Its IUPAC name is 6-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-4-hydroxy-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-4-hydroxy-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-2-one
PubChem CID134356334
Molecular FormulaC22H23N9O3
Molecular Weight461.49 g/mol
Exact Mass461.19
IUPAC Name6-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-4-hydroxy-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-2-one
SMILESCC1(C)C(=O)Nc2cc(Nc3nc4c(N5CCC6=C(C5)C(O)NC(=O)N6)nccn4n3)ccc21
InChIInChI=1S/C22H23N9O3/c1-22(2)13-4-3-11(9-15(13)25-19(22)33)24-20-27-17-16(23-6-8-31(17)29-20)30-7-5-14-12(10-30)18(32)28-21(34)26-14/h3-4,6,8-9,18,32H,5,7,10H2,1-2H3,(H,24,29)(H,25,33)(H2,26,28,34)
InChIKeyHEPGMADJRXQFRU-UHFFFAOYSA-N
XLogP1.19
TPSA148.81 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 51.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 6-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-4-hydroxy-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-2-one with MolForge

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Related Compounds

3,3-dimethyl-6-[(8-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1H-indol-2-one
CID 71721588
3,3-dimethyl-6-[[8-(2-methylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]-1H-indol-2-one
CID 71721589
6-[[8-[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one
CID 71721566
3,3-dimethyl-6-[[8-(2-oxa-8-azaspiro[3.5]nonan-8-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]-1H-indol-2-one
CID 71721827
N-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]methanesulfinamide
CID 134356481
6-[[5-(4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one
CID 46184715
6-[[8-(4-ethyl-4-hydroxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]-3,3-dimethyl-1,2-dihydroindol-2-ol
CID 134356350
8-[2-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 71721591
6-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-3,3-dimethyl-1H-indol-2-one
CID 59473614
3,3-dimethyl-6-[[5-[[(3S)-piperidin-3-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one;dihydrochloride
CID 121282042
3,3-dimethyl-6-[[5-[[(3S)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
CID 59276258
3,3-dimethyl-6-[[5-[(3R)-oxolan-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1H-indol-2-one
CID 46185745

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-4-hydroxy-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 6-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-4-hydroxy-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-2-one (CID 134356334) is 6-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-4-hydroxy-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-4-hydroxy-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 6-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-4-hydroxy-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-2-one is CC1(C)C(=O)Nc2cc(Nc3nc4c(N5CCC6=C(C5)C(O)NC(=O)N6)nccn4n3)ccc21.
What is the InChIKey of 6-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-4-hydroxy-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-2-one?
The InChIKey is HEPGMADJRXQFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9O3/c1-22(2)13-4-3-11(9-15(13)25-19(22)33)24-20-27-17-16(23-6-8-31(17)29-20)30-7-5-14-12(10-30)18(32)28-21(34)26-14/h3-4,6,8-9,18,32H,5,7,10H2,1-2H3,(H,24,29)(H,25,33)(H2,26,28,34).
What are the key properties of 6-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-4-hydroxy-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-2-one?
6-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-4-hydroxy-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-2-one has a molecular weight of 461.49 g/mol, XLogP of 1.19, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-4-hydroxy-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 134356334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).