4-[[2-[(1-propan-2-ylindazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one

C21H24N8O — CID 46183526

IUPAC4-[[2-[(1-propan-2-ylindazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one
SMILESCC(C)n1ncc2ccc(Nc3nc4cccc(CN5CCNC(=O)C5)n4n3)cc21
InChIInChI=1S/C21H24N8O/c1-14(2)28-18-10-16(7-6-15(18)11-23-28)24-21-25-19-5-3-4-17(29(19)26-21)12-27-9-8-22-20(30)13-27/h3-7,10-11,14H,8-9,12-13H2,1-2H3,(H,22,30)(H,24,26)
InChIKeyQPJNRTPCTVUQMF-UHFFFAOYSA-N
MW404.48 g/mol
LogP2.34
Rot. Bonds5

About 4-[[2-[(1-propan-2-ylindazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one

4-[[2-[(1-propan-2-ylindazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one (PubChem CID 46183526) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is 4-[[2-[(1-propan-2-ylindazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[2-[(1-propan-2-ylindazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one
PubChem CID46183526
Molecular FormulaC21H24N8O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name4-[[2-[(1-propan-2-ylindazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one
SMILESCC(C)n1ncc2ccc(Nc3nc4cccc(CN5CCNC(=O)C5)n4n3)cc21
InChIInChI=1S/C21H24N8O/c1-14(2)28-18-10-16(7-6-15(18)11-23-28)24-21-25-19-5-3-4-17(29(19)26-21)12-27-9-8-22-20(30)13-27/h3-7,10-11,14H,8-9,12-13H2,1-2H3,(H,22,30)(H,24,26)
InChIKeyQPJNRTPCTVUQMF-UHFFFAOYSA-N
XLogP2.34
TPSA92.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
2-methyl-3-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]propan-1-ol
CID 67293178
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
4-[(6-amino-2-pyridinyl)methyl]piperazin-2-one
CID 79243693
(2S)-2-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylindazol-6-yl)propanamide
CID 97212842
[4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(2-piperazin-1-ylethylamino)methanol
CID 163784466
1,1-dioxo-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dihydro-1,2-benzothiazol-6-amine
CID 59276492
N-[5-(3-oxopiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 70929601
4-amino-N-(1-propan-2-ylindazol-6-yl)butanamide
CID 119308053
2-(naphthalen-2-ylamino)-5-[[4-[(3-oxopiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 118061973

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(1-propan-2-ylindazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one?
The IUPAC name of 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) is 4-[[2-[(1-propan-2-ylindazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[2-[(1-propan-2-ylindazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[2-[(1-propan-2-ylindazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one is CC(C)n1ncc2ccc(Nc3nc4cccc(CN5CCNC(=O)C5)n4n3)cc21.
What is the InChIKey of 4-[[2-[(1-propan-2-ylindazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one?
The InChIKey is QPJNRTPCTVUQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O/c1-14(2)28-18-10-16(7-6-15(18)11-23-28)24-21-25-19-5-3-4-17(29(19)26-21)12-27-9-8-22-20(30)13-27/h3-7,10-11,14H,8-9,12-13H2,1-2H3,(H,22,30)(H,24,26).
What are the key properties of 4-[[2-[(1-propan-2-ylindazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one?
4-[[2-[(1-propan-2-ylindazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one has a molecular weight of 404.48 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(1-propan-2-ylindazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]piperazin-2-one is sourced from PubChem (CID 46183526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).