3,3-dimethyl-6-[(8-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1H-indol-2-one

C19H21N7O — CID 71721588

IUPAC3,3-dimethyl-6-[(8-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(Nc3nc4c(N5CCCC5)nccn4n3)ccc21
InChIInChI=1S/C19H21N7O/c1-19(2)13-6-5-12(11-14(13)22-17(19)27)21-18-23-16-15(25-8-3-4-9-25)20-7-10-26(16)24-18/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,21,24)(H,22,27)
InChIKeyBZEPMGRSNGVORQ-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.70
Rot. Bonds3

About 3,3-dimethyl-6-[(8-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1H-indol-2-one

3,3-dimethyl-6-[(8-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1H-indol-2-one (PubChem CID 71721588) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 3,3-dimethyl-6-[(8-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-[(8-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1H-indol-2-one
PubChem CID71721588
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name3,3-dimethyl-6-[(8-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(Nc3nc4c(N5CCCC5)nccn4n3)ccc21
InChIInChI=1S/C19H21N7O/c1-19(2)13-6-5-12(11-14(13)22-17(19)27)21-18-23-16-15(25-8-3-4-9-25)20-7-10-26(16)24-18/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,21,24)(H,22,27)
InChIKeyBZEPMGRSNGVORQ-UHFFFAOYSA-N
XLogP2.70
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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
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
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-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
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
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
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
6-[[5-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one
CID 68587582
6-[[4-[4-(4-fluorobutyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one
CID 158807476

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-[(8-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1H-indol-2-one?
The IUPAC name of 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) is 3,3-dimethyl-6-[(8-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1H-indol-2-one.
What is the SMILES notation for 3,3-dimethyl-6-[(8-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-6-[(8-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1H-indol-2-one is CC1(C)C(=O)Nc2cc(Nc3nc4c(N5CCCC5)nccn4n3)ccc21.
What is the InChIKey of 3,3-dimethyl-6-[(8-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1H-indol-2-one?
The InChIKey is BZEPMGRSNGVORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-19(2)13-6-5-12(11-14(13)22-17(19)27)21-18-23-16-15(25-8-3-4-9-25)20-7-10-26(16)24-18/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,21,24)(H,22,27).
What are the key properties of 3,3-dimethyl-6-[(8-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1H-indol-2-one?
3,3-dimethyl-6-[(8-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1H-indol-2-one has a molecular weight of 363.43 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-[(8-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]-1H-indol-2-one is sourced from PubChem (CID 71721588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).