N-[3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]imidazo[4,5-b]pyridin-7-yl]benzamide

C19H19FN4O3 — CID 126585073

IUPACN-[3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]imidazo[4,5-b]pyridin-7-yl]benzamide
SMILESCC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ccnc32)[C@@H](F)[C@@H]1O
InChIInChI=1S/C19H19FN4O3/c1-2-13-16(25)14(20)19(27-13)24-10-22-15-12(8-9-21-17(15)24)23-18(26)11-6-4-3-5-7-11/h3-10,13-14,16,19,25H,2H2,1H3,(H,21,23,26)/t13-,14+,16-,19-/m1/s1
InChIKeyIZCJDMAHHXIDTE-QHHYFVSCSA-N
MW370.38 g/mol
LogP2.69
Rot. Bonds4

About N-[3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]imidazo[4,5-b]pyridin-7-yl]benzamide

N-[3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]imidazo[4,5-b]pyridin-7-yl]benzamide (PubChem CID 126585073) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]imidazo[4,5-b]pyridin-7-yl]benzamide.

Molecular Properties

Compound NameN-[3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]imidazo[4,5-b]pyridin-7-yl]benzamide
PubChem CID126585073
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN-[3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]imidazo[4,5-b]pyridin-7-yl]benzamide
SMILESCC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ccnc32)[C@@H](F)[C@@H]1O
InChIInChI=1S/C19H19FN4O3/c1-2-13-16(25)14(20)19(27-13)24-10-22-15-12(8-9-21-17(15)24)23-18(26)11-6-4-3-5-7-11/h3-10,13-14,16,19,25H,2H2,1H3,(H,21,23,26)/t13-,14+,16-,19-/m1/s1
InChIKeyIZCJDMAHHXIDTE-QHHYFVSCSA-N
XLogP2.69
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,3R,5R)-5-ethyl-3-fluoro-4-oxooxolan-2-yl]purin-6-yl]benzamide
CID 163435381
[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-hydroxy-oxophosphanium;N-[9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide
CID 158195397
N-[9-[(2R,3R,4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide
CID 174232695
N-[9-[(2R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide
CID 66650745
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,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide
CID 158147801
N-[9-[(2R,3R,4R,5R)-5-(1,1-dideuterioethyl)-3-fluoro-4-methyloxolan-2-yl]purin-6-yl]benzamide
CID 165071390
N-[9-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-6-yl]benzamide
CID 126544773
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol
CID 59289290
N-ethyl-N-[9-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide
CID 167387603

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]imidazo[4,5-b]pyridin-7-yl]benzamide?
The IUPAC name of N-[3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]imidazo[4,5-b]pyridin-7-yl]benzamide (CID 126585073) is N-[3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]imidazo[4,5-b]pyridin-7-yl]benzamide.
What is the SMILES notation for N-[3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]imidazo[4,5-b]pyridin-7-yl]benzamide?
The canonical SMILES for N-[3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]imidazo[4,5-b]pyridin-7-yl]benzamide is CC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ccnc32)[C@@H](F)[C@@H]1O.
What is the InChIKey of N-[3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]imidazo[4,5-b]pyridin-7-yl]benzamide?
The InChIKey is IZCJDMAHHXIDTE-QHHYFVSCSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-2-13-16(25)14(20)19(27-13)24-10-22-15-12(8-9-21-17(15)24)23-18(26)11-6-4-3-5-7-11/h3-10,13-14,16,19,25H,2H2,1H3,(H,21,23,26)/t13-,14+,16-,19-/m1/s1.
What are the key properties of N-[3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]imidazo[4,5-b]pyridin-7-yl]benzamide?
N-[3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]imidazo[4,5-b]pyridin-7-yl]benzamide has a molecular weight of 370.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]imidazo[4,5-b]pyridin-7-yl]benzamide is sourced from PubChem (CID 126585073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).