4-[2-[4-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one

C23H25N9O2 — CID 118726016

IUPAC4-[2-[4-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
SMILESNc1nc(NC2CCN(CCc3cccc4c3CC(=O)N4)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C23H25N9O2/c24-21-28-22(29-23-27-20(30-32(21)23)18-5-2-12-34-18)25-15-7-10-31(11-8-15)9-6-14-3-1-4-17-16(14)13-19(33)26-17/h1-5,12,15H,6-11,13H2,(H,26,33)(H3,24,25,27,28,29,30)
InChIKeyZOWFSAKWXNDEGI-UHFFFAOYSA-N
MW459.51 g/mol
LogP1.98
Rot. Bonds6

About 4-[2-[4-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one

4-[2-[4-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one (PubChem CID 118726016) has the molecular formula C23H25N9O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is 4-[2-[4-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2-[4-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
PubChem CID118726016
Molecular FormulaC23H25N9O2
Molecular Weight459.51 g/mol
Exact Mass459.21
IUPAC Name4-[2-[4-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
SMILESNc1nc(NC2CCN(CCc3cccc4c3CC(=O)N4)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C23H25N9O2/c24-21-28-22(29-23-27-20(30-32(21)23)18-5-2-12-34-18)25-15-7-10-31(11-8-15)9-6-14-3-1-4-17-16(14)13-19(33)26-17/h1-5,12,15H,6-11,13H2,(H,26,33)(H3,24,25,27,28,29,30)
InChIKeyZOWFSAKWXNDEGI-UHFFFAOYSA-N
XLogP1.98
TPSA139.50 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-[2-[4-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

4-[2-[3-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]propyl-propylamino]ethyl]-1,3-dihydroindol-2-one
CID 118726010
tert-butyl 4-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]piperidine-1-carboxylate
CID 118726012
5-N-(2-aminoethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 51051139
5-N-[[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 69433388
2-(furan-2-yl)-5-N-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 15729947
4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 153381356
5-N-[[(2R)-1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 11475832
(2S)-2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 174296040
4-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]piperazin-1-yl]-N-methylbenzenesulfonamide
CID 146468151
2-(furan-2-yl)-5-N-[[1-[(2,4,6-trifluorophenyl)methyl]pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 69433365
2-N-[(3S)-1-benzylpyrrolidin-3-yl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 124674718
(2S)-2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]-1-(4-benzylpiperazin-1-yl)propan-1-one
CID 171744915

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2-[4-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one (CID 118726016) is 4-[2-[4-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2-[4-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2-[4-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one is Nc1nc(NC2CCN(CCc3cccc4c3CC(=O)N4)CC2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 4-[2-[4-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The InChIKey is ZOWFSAKWXNDEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O2/c24-21-28-22(29-23-27-20(30-32(21)23)18-5-2-12-34-18)25-15-7-10-31(11-8-15)9-6-14-3-1-4-17-16(14)13-19(33)26-17/h1-5,12,15H,6-11,13H2,(H,26,33)(H3,24,25,27,28,29,30).
What are the key properties of 4-[2-[4-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one?
4-[2-[4-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one has a molecular weight of 459.51 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 118726016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).