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

C22H29N7O2 — CID 134356350

IUPAC6-[[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
SMILESCCC1(O)CCN(c2nccn3nc(Nc4ccc5c(c4)NC(O)C5(C)C)nc23)CC1
InChIInChI=1S/C22H29N7O2/c1-4-22(31)7-10-28(11-8-22)17-18-26-20(27-29(18)12-9-23-17)24-14-5-6-15-16(13-14)25-19(30)21(15,2)3/h5-6,9,12-13,19,25,30-31H,4,7-8,10-11H2,1-3H3,(H,24,27)
InChIKeyOPOVPQNUDQCONV-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.63
Rot. Bonds4

About 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

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 (PubChem CID 134356350) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[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
PubChem CID134356350
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name6-[[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
SMILESCCC1(O)CCN(c2nccn3nc(Nc4ccc5c(c4)NC(O)C5(C)C)nc23)CC1
InChIInChI=1S/C22H29N7O2/c1-4-22(31)7-10-28(11-8-22)17-18-26-20(27-29(18)12-9-23-17)24-14-5-6-15-16(13-14)25-19(30)21(15,2)3/h5-6,9,12-13,19,25,30-31H,4,7-8,10-11H2,1-3H3,(H,24,27)
InChIKeyOPOVPQNUDQCONV-UHFFFAOYSA-N
XLogP2.63
TPSA110.84 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 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 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
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-[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
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
N-(4-ethoxyphenyl)-8-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 66583455
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
N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 71721718
8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 87058900
1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol
CID 104733153

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1(O)CCN(c2nccn3nc(Nc4ccc5c(c4)NC(O)C5(C)C)nc23)CC1.
What is the InChIKey of 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?
The InChIKey is OPOVPQNUDQCONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-4-22(31)7-10-28(11-8-22)17-18-26-20(27-29(18)12-9-23-17)24-14-5-6-15-16(13-14)25-19(30)21(15,2)3/h5-6,9,12-13,19,25,30-31H,4,7-8,10-11H2,1-3H3,(H,24,27).
What are the key properties of 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?
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 has a molecular weight of 423.52 g/mol, XLogP of 2.63, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134356350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).