2-[(2S)-1-[8-ethyl-4-(pyrimidin-5-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol

C19H26N8O — CID 11440462

IUPAC2-[(2S)-1-[8-ethyl-4-(pyrimidin-5-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol
SMILESCCc1cnn2c(NCc3cncnc3)nc(N3CCCC[C@H]3CCO)nc12
InChIInChI=1S/C19H26N8O/c1-2-15-12-23-27-17(15)24-19(26-7-4-3-5-16(26)6-8-28)25-18(27)22-11-14-9-20-13-21-10-14/h9-10,12-13,16,28H,2-8,11H2,1H3,(H,22,24,25)/t16-/m0/s1
InChIKeyWYYUQYTUCCAUDS-INIZCTEOSA-N
MW382.47 g/mol
LogP1.83
Rot. Bonds7

About 2-[(2S)-1-[8-ethyl-4-(pyrimidin-5-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol

2-[(2S)-1-[8-ethyl-4-(pyrimidin-5-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol (PubChem CID 11440462) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[(2S)-1-[8-ethyl-4-(pyrimidin-5-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-[8-ethyl-4-(pyrimidin-5-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol
PubChem CID11440462
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC Name2-[(2S)-1-[8-ethyl-4-(pyrimidin-5-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol
SMILESCCc1cnn2c(NCc3cncnc3)nc(N3CCCC[C@H]3CCO)nc12
InChIInChI=1S/C19H26N8O/c1-2-15-12-23-27-17(15)24-19(26-7-4-3-5-16(26)6-8-28)25-18(27)22-11-14-9-20-13-21-10-14/h9-10,12-13,16,28H,2-8,11H2,1H3,(H,22,24,25)/t16-/m0/s1
InChIKeyWYYUQYTUCCAUDS-INIZCTEOSA-N
XLogP1.83
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[8-ethyl-4-(pyrimidin-5-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-[8-ethyl-4-(pyrimidin-5-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol (CID 11440462) is 2-[(2S)-1-[8-ethyl-4-(pyrimidin-5-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-[8-ethyl-4-(pyrimidin-5-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-[8-ethyl-4-(pyrimidin-5-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol is CCc1cnn2c(NCc3cncnc3)nc(N3CCCC[C@H]3CCO)nc12.
What is the InChIKey of 2-[(2S)-1-[8-ethyl-4-(pyrimidin-5-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol?
The InChIKey is WYYUQYTUCCAUDS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N8O/c1-2-15-12-23-27-17(15)24-19(26-7-4-3-5-16(26)6-8-28)25-18(27)22-11-14-9-20-13-21-10-14/h9-10,12-13,16,28H,2-8,11H2,1H3,(H,22,24,25)/t16-/m0/s1.
What are the key properties of 2-[(2S)-1-[8-ethyl-4-(pyrimidin-5-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol?
2-[(2S)-1-[8-ethyl-4-(pyrimidin-5-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol has a molecular weight of 382.47 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[8-ethyl-4-(pyrimidin-5-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol is sourced from PubChem (CID 11440462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).