1,3,3-trimethyl-6-[[5-[(3-oxopiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one

C22H25N7O2 — CID 46185746

IUPAC1,3,3-trimethyl-6-[[5-[(3-oxopiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one
SMILESCN1C(=O)C(C)(C)c2ccc(Nc3nc4cccc(CN5CCNC(=O)C5)n4n3)cc21
InChIInChI=1S/C22H25N7O2/c1-22(2)16-8-7-14(11-17(16)27(3)20(22)31)24-21-25-18-6-4-5-15(29(18)26-21)12-28-10-9-23-19(30)13-28/h4-8,11H,9-10,12-13H2,1-3H3,(H,23,30)(H,24,26)
InChIKeyKRAGZLUPZSWXNT-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.66
Rot. Bonds4

About 1,3,3-trimethyl-6-[[5-[(3-oxopiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one

1,3,3-trimethyl-6-[[5-[(3-oxopiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one (PubChem CID 46185746) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 1,3,3-trimethyl-6-[[5-[(3-oxopiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-6-[[5-[(3-oxopiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one
PubChem CID46185746
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name1,3,3-trimethyl-6-[[5-[(3-oxopiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one
SMILESCN1C(=O)C(C)(C)c2ccc(Nc3nc4cccc(CN5CCNC(=O)C5)n4n3)cc21
InChIInChI=1S/C22H25N7O2/c1-22(2)16-8-7-14(11-17(16)27(3)20(22)31)24-21-25-18-6-4-5-15(29(18)26-21)12-28-10-9-23-19(30)13-28/h4-8,11H,9-10,12-13H2,1-3H3,(H,23,30)(H,24,26)
InChIKeyKRAGZLUPZSWXNT-UHFFFAOYSA-N
XLogP1.66
TPSA94.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1,3,3-trimethyl-6-[[5-[(3-oxopiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one with MolForge

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Related Compounds

4-[[2-[(1-propan-2-ylindazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one
CID 46183526
4-[[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one;molecular hydrogen
CID 159357823
4-[[2-[(1-methyl-2,3-dihydroindol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexan-1-one
CID 141394365
3,3-dimethyl-6-[[5-(oxane-4-carbonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-oxoindole-1-carboxylic acid
CID 68586584
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
4-[(6-amino-2-pyridinyl)methyl]piperazin-2-one
CID 79243693
[4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(2-piperazin-1-ylethylamino)methanol
CID 163784466
N-[3-[2-[4-(4-piperazin-1-ylbutanoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide
CID 147531667
N-[5-(3-oxopiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 70929601
4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 36925300
4-[[6-(ethylamino)-2-pyridinyl]methyl]-1,4-diazepan-2-one
CID 79233656
6-[[5-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-[1-hydroxy-4-[[2-[4-(1H-1,2,4-triazol-5-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]-3,3-dimethylindol-2-one
CID 67293601

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-6-[[5-[(3-oxopiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one?
The IUPAC name of 1,3,3-trimethyl-6-[[5-[(3-oxopiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one (CID 46185746) is 1,3,3-trimethyl-6-[[5-[(3-oxopiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one.
What is the SMILES notation for 1,3,3-trimethyl-6-[[5-[(3-oxopiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one?
The canonical SMILES for 1,3,3-trimethyl-6-[[5-[(3-oxopiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one is CN1C(=O)C(C)(C)c2ccc(Nc3nc4cccc(CN5CCNC(=O)C5)n4n3)cc21.
What is the InChIKey of 1,3,3-trimethyl-6-[[5-[(3-oxopiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one?
The InChIKey is KRAGZLUPZSWXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-22(2)16-8-7-14(11-17(16)27(3)20(22)31)24-21-25-18-6-4-5-15(29(18)26-21)12-28-10-9-23-19(30)13-28/h4-8,11H,9-10,12-13H2,1-3H3,(H,23,30)(H,24,26).
What are the key properties of 1,3,3-trimethyl-6-[[5-[(3-oxopiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one?
1,3,3-trimethyl-6-[[5-[(3-oxopiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one has a molecular weight of 419.49 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-6-[[5-[(3-oxopiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]indol-2-one is sourced from PubChem (CID 46185746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).