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

C20H23N7O — CID 71721589

IUPAC3,3-dimethyl-6-[[8-(2-methylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]-1H-indol-2-one
SMILESCC1CCCN1c1nccn2nc(Nc3ccc4c(c3)NC(=O)C4(C)C)nc12
InChIInChI=1S/C20H23N7O/c1-12-5-4-9-26(12)16-17-24-19(25-27(17)10-8-21-16)22-13-6-7-14-15(11-13)23-18(28)20(14,2)3/h6-8,10-12H,4-5,9H2,1-3H3,(H,22,25)(H,23,28)
InChIKeyZFPGOIXWCMEJQT-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.09
Rot. Bonds3

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

3,3-dimethyl-6-[[8-(2-methylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]-1H-indol-2-one (PubChem CID 71721589) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 3,3-dimethyl-6-[[8-(2-methylpyrrolidin-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-(2-methylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]-1H-indol-2-one
PubChem CID71721589
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name3,3-dimethyl-6-[[8-(2-methylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]-1H-indol-2-one
SMILESCC1CCCN1c1nccn2nc(Nc3ccc4c(c3)NC(=O)C4(C)C)nc12
InChIInChI=1S/C20H23N7O/c1-12-5-4-9-26(12)16-17-24-19(25-27(17)10-8-21-16)22-13-6-7-14-15(11-13)23-18(28)20(14,2)3/h6-8,10-12H,4-5,9H2,1-3H3,(H,22,25)(H,23,28)
InChIKeyZFPGOIXWCMEJQT-UHFFFAOYSA-N
XLogP3.09
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3,3-dimethyl-6-[[8-(2-methylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]-1H-indol-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
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
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
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
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-[(2S,4S)-4-hydroxy-2-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]-3,3-dimethyl-1H-indol-2-one
CID 147894160
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
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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-[[8-(2-methylpyrrolidin-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-(2-methylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]-1H-indol-2-one (CID 71721589) is 3,3-dimethyl-6-[[8-(2-methylpyrrolidin-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-(2-methylpyrrolidin-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-(2-methylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]-1H-indol-2-one is CC1CCCN1c1nccn2nc(Nc3ccc4c(c3)NC(=O)C4(C)C)nc12.
What is the InChIKey of 3,3-dimethyl-6-[[8-(2-methylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]-1H-indol-2-one?
The InChIKey is ZFPGOIXWCMEJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-12-5-4-9-26(12)16-17-24-19(25-27(17)10-8-21-16)22-13-6-7-14-15(11-13)23-18(28)20(14,2)3/h6-8,10-12H,4-5,9H2,1-3H3,(H,22,25)(H,23,28).
What are the key properties of 3,3-dimethyl-6-[[8-(2-methylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]-1H-indol-2-one?
3,3-dimethyl-6-[[8-(2-methylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]-1H-indol-2-one has a molecular weight of 377.45 g/mol, XLogP of 3.09, 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-(2-methylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]-1H-indol-2-one is sourced from PubChem (CID 71721589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).