N-[7-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide

C18H19N5O3 — CID 126585080

IUPACN-[7-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide
SMILESCC[C@H]1O[C@@H](c2cnc3c(NC(=O)c4ccccc4)ncnn23)C[C@@H]1O
InChIInChI=1S/C18H19N5O3/c1-2-14-13(24)8-15(26-14)12-9-19-17-16(20-10-21-23(12)17)22-18(25)11-6-4-3-5-7-11/h3-7,9-10,13-15,24H,2,8H2,1H3,(H,20,21,22,25)/t13-,14+,15+/m0/s1
InChIKeyJJGYXGKZKZWAGL-RRFJBIMHSA-N
MW353.38 g/mol
LogP1.98
Rot. Bonds4

About N-[7-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide

N-[7-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide (PubChem CID 126585080) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[7-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide.

Molecular Properties

Compound NameN-[7-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide
PubChem CID126585080
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[7-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide
SMILESCC[C@H]1O[C@@H](c2cnc3c(NC(=O)c4ccccc4)ncnn23)C[C@@H]1O
InChIInChI=1S/C18H19N5O3/c1-2-14-13(24)8-15(26-14)12-9-19-17-16(20-10-21-23(12)17)22-18(25)11-6-4-3-5-7-11/h3-7,9-10,13-15,24H,2,8H2,1H3,(H,20,21,22,25)/t13-,14+,15+/m0/s1
InChIKeyJJGYXGKZKZWAGL-RRFJBIMHSA-N
XLogP1.98
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrazolo[3,4-d]pyrimidin-4-yl]benzamide
CID 157118140
N-[7-[4-hydroxy-2-(hydroxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide
CID 168818377
N-[7-[(2S,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide;N-[7-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide
CID 160515027
formonitrile;N-[7-[5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide
CID 166531570
benzoyl chloride;7-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[7-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]benzamide
CID 160898072
N-[9-[(2R,4R,5R)-5-ethyl-4-hydroxy-3-methyloxolan-2-yl]purin-6-yl]benzamide
CID 167636315
N-[9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,3S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]purin-6-yl]benzamide
CID 163478876
[(2R,3S,4S,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-fluorooxolan-3-yl] hydrogen carbonate
CID 163464988
N-[9-[(2R,3R,4R,5R)-5-ethyl-3-methoxy-4-methyloxolan-2-yl]purin-6-yl]benzamide
CID 170290375
[(2R,3R,4S,5R)-5-(7-benzamidotriazolo[4,5-d]pyrimidin-3-yl)-2-ethyl-4-fluorooxolan-3-yl] hydrogen carbonate;[(2R,3R,4S,5R)-5-(7-benzamidotriazolo[4,5-d]pyrimidin-3-yl)-2-ethyl-4-fluorooxolan-3-yl] phenyl carbonate;methane
CID 158486264
N-[7-(4-ethyl-2,3-dihydroxycyclopentyl)pyrrolo[2,3-d]pyrimidin-4-yl]benzamide
CID 157138943
N-[9-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide
CID 21177225

Frequently Asked Questions

What is the IUPAC name of N-[7-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide?
The IUPAC name of N-[7-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide (CID 126585080) is N-[7-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide.
What is the SMILES notation for N-[7-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide?
The canonical SMILES for N-[7-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide is CC[C@H]1O[C@@H](c2cnc3c(NC(=O)c4ccccc4)ncnn23)C[C@@H]1O.
What is the InChIKey of N-[7-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide?
The InChIKey is JJGYXGKZKZWAGL-RRFJBIMHSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-2-14-13(24)8-15(26-14)12-9-19-17-16(20-10-21-23(12)17)22-18(25)11-6-4-3-5-7-11/h3-7,9-10,13-15,24H,2,8H2,1H3,(H,20,21,22,25)/t13-,14+,15+/m0/s1.
What are the key properties of N-[7-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide?
N-[7-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide has a molecular weight of 353.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide is sourced from PubChem (CID 126585080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).