1-ethyl-4-[[[8-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one

C22H31N7O2 — CID 23569269

IUPAC1-ethyl-4-[[[8-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one
SMILESCCc1cnn2c(NCc3ccn(CC)c(=O)c3)nc(N3CCCCC3CCO)nc12
InChIInChI=1S/C22H31N7O2/c1-3-17-15-24-29-20(17)25-22(28-10-6-5-7-18(28)9-12-30)26-21(29)23-14-16-8-11-27(4-2)19(31)13-16/h8,11,13,15,18,30H,3-7,9-10,12,14H2,1-2H3,(H,23,25,26)
InChIKeyQYJIEKIKJMANHG-UHFFFAOYSA-N
MW425.54 g/mol
LogP2.22
Rot. Bonds8

About 1-ethyl-4-[[[8-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one

1-ethyl-4-[[[8-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one (PubChem CID 23569269) has the molecular formula C22H31N7O2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-ethyl-4-[[[8-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[[[8-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one
PubChem CID23569269
Molecular FormulaC22H31N7O2
Molecular Weight425.54 g/mol
Exact Mass425.25
IUPAC Name1-ethyl-4-[[[8-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one
SMILESCCc1cnn2c(NCc3ccn(CC)c(=O)c3)nc(N3CCCCC3CCO)nc12
InChIInChI=1S/C22H31N7O2/c1-3-17-15-24-29-20(17)25-22(28-10-6-5-7-18(28)9-12-30)26-21(29)23-14-16-8-11-27(4-2)19(31)13-16/h8,11,13,15,18,30H,3-7,9-10,12,14H2,1-2H3,(H,23,25,26)
InChIKeyQYJIEKIKJMANHG-UHFFFAOYSA-N
XLogP2.22
TPSA100.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-ethyl-4-[[[8-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one with MolForge

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Related Compounds

1-ethyl-4-[[[8-[4-[4-[[[8-ethyl-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]-2-oxo-1-pyridinyl]butyl]-2-[[(1S,2R)-2-methylcyclohexyl]amino]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one
CID 143097918
2-[1-[4-[(6-ethoxy-1-oxidopyridin-1-ium-3-yl)methylamino]-8-ethylpyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol
CID 23569277
2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethyl N-methylcarbamate
CID 175873921
2-[1-[7-[[6-(4,4-dimethoxybutoxy)-3-pyridinyl]methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
CID 171070471
N-[4-[[3-ethyl-5-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]prop-2-enamide
CID 135369738
2-trimethylsilylethyl N-[2-[2-[2-[2-[2-[2-[2-[5-[[[3-ethyl-5-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-oxo-1-pyridinyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methylcarbamate
CID 171081171
4-[2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethyl-methylamino]but-2-enoic acid
CID 175874006
(E)-4-[2-[2-[2-[2-[2-[2-[2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoic acid
CID 175886700
methyl (E)-4-[2-[2-[2-[2-[2-[[5-[[[3-ethyl-5-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate
CID 175886675
tert-butyl 4-[3-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]propyl]piperazine-1-carboxylate
CID 171070416
3-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-5-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 144762830
CID 71148289
CID 71148289

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[[8-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one?
The IUPAC name of 1-ethyl-4-[[[8-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one (CID 23569269) is 1-ethyl-4-[[[8-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-4-[[[8-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-4-[[[8-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one is CCc1cnn2c(NCc3ccn(CC)c(=O)c3)nc(N3CCCCC3CCO)nc12.
What is the InChIKey of 1-ethyl-4-[[[8-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one?
The InChIKey is QYJIEKIKJMANHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O2/c1-3-17-15-24-29-20(17)25-22(28-10-6-5-7-18(28)9-12-30)26-21(29)23-14-16-8-11-27(4-2)19(31)13-16/h8,11,13,15,18,30H,3-7,9-10,12,14H2,1-2H3,(H,23,25,26).
What are the key properties of 1-ethyl-4-[[[8-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one?
1-ethyl-4-[[[8-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one has a molecular weight of 425.54 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[[8-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]pyridin-2-one is sourced from PubChem (CID 23569269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).