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

C25H29N9O — CID 71721566

IUPAC6-[[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
SMILESCc1nc(C2CCN(c3nccn4nc(Nc5ccc6c(c5)NC(=O)C6(C)C)nc34)CC2)[nH]c1C
InChIInChI=1S/C25H29N9O/c1-14-15(2)28-20(27-14)16-7-10-33(11-8-16)21-22-31-24(32-34(22)12-9-26-21)29-17-5-6-18-19(13-17)30-23(35)25(18,3)4/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3,(H,27,28)(H,29,32)(H,30,35)
InChIKeyQZWQVGJPNJACAY-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.82
Rot. Bonds4

About 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

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 (PubChem CID 71721566) has the molecular formula C25H29N9O and a molecular weight of 471.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[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
PubChem CID71721566
Molecular FormulaC25H29N9O
Molecular Weight471.57 g/mol
Exact Mass471.25
IUPAC Name6-[[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
SMILESCc1nc(C2CCN(c3nccn4nc(Nc5ccc6c(c5)NC(=O)C6(C)C)nc34)CC2)[nH]c1C
InChIInChI=1S/C25H29N9O/c1-14-15(2)28-20(27-14)16-7-10-33(11-8-16)21-22-31-24(32-34(22)12-9-26-21)29-17-5-6-18-19(13-17)30-23(35)25(18,3)4/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3,(H,27,28)(H,29,32)(H,30,35)
InChIKeyQZWQVGJPNJACAY-UHFFFAOYSA-N
XLogP3.82
TPSA116.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 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
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
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
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-[[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-[[4-[4-(4-fluorobutyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one
CID 158807476
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-[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C2CCN(c3nccn4nc(Nc5ccc6c(c5)NC(=O)C6(C)C)nc34)CC2)[nH]c1C.
What is the InChIKey of 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?
The InChIKey is QZWQVGJPNJACAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O/c1-14-15(2)28-20(27-14)16-7-10-33(11-8-16)21-22-31-24(32-34(22)12-9-26-21)29-17-5-6-18-19(13-17)30-23(35)25(18,3)4/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3,(H,27,28)(H,29,32)(H,30,35).
What are the key properties of 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?
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 has a molecular weight of 471.57 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71721566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).