1-benzyl-4-fluoro-5-phenylmethoxy-3H-pyrrolo[2,3-b]pyridin-2-one

C21H17FN2O2 — CID 74892020

IUPAC1-benzyl-4-fluoro-5-phenylmethoxy-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2c(ncc(OCc3ccccc3)c2F)N1Cc1ccccc1
InChIInChI=1S/C21H17FN2O2/c22-20-17-11-19(25)24(13-15-7-3-1-4-8-15)21(17)23-12-18(20)26-14-16-9-5-2-6-10-16/h1-10,12H,11,13-14H2
InChIKeyONXQQQZTERKKAQ-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.89
Rot. Bonds5

About 1-benzyl-4-fluoro-5-phenylmethoxy-3H-pyrrolo[2,3-b]pyridin-2-one

1-benzyl-4-fluoro-5-phenylmethoxy-3H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 74892020) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-benzyl-4-fluoro-5-phenylmethoxy-3H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-fluoro-5-phenylmethoxy-3H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID74892020
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name1-benzyl-4-fluoro-5-phenylmethoxy-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2c(ncc(OCc3ccccc3)c2F)N1Cc1ccccc1
InChIInChI=1S/C21H17FN2O2/c22-20-17-11-19(25)24(13-15-7-3-1-4-8-15)21(17)23-12-18(20)26-14-16-9-5-2-6-10-16/h1-10,12H,11,13-14H2
InChIKeyONXQQQZTERKKAQ-UHFFFAOYSA-N
XLogP3.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-(3-oxo-2-phenyl-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl)butanamide
CID 22553216
N-ethyl-2-[4-[(3R)-1-(3-fluoro-5-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]propanamide
CID 117711060
N-[(4-Fluorophenyl)methyl]-4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-B][1,4]oxazin-4-YL}butanamide
CID 22553183
N-[8-[(3,4-difluorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-methoxy-N-methylbenzamide
CID 49786623
4-chloro-N-[4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-yl]benzamide
CID 134806016
3-[7-(3-fluoroanilino)-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide
CID 134808392
N-(3-benzyloxy-2-pyridyl)benzamide
CID 11609183
2H-Pyrido(3,2-b)-1,4-oxazin-3(4H)-one, 2-phenyl-4-(2-phenylethyl)-, monohydrochloride
CID 24844947
2H-Pyrido(3,2-b)-1,4-oxazin-3(4H)-one, 2-phenyl-4-phenylmethyl-, monohydrochloride
CID 24844948
N-benzyl-2-(4-fluorophenoxy)-N-(pyridin-2-yl)acetamide
CID 16437581
1-Benzyl-3-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]urea
CID 72544946
3-(dimethylamino)-N-[4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-yl]benzamide
CID 134805349

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-fluoro-5-phenylmethoxy-3H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 1-benzyl-4-fluoro-5-phenylmethoxy-3H-pyrrolo[2,3-b]pyridin-2-one (CID 74892020) is 1-benzyl-4-fluoro-5-phenylmethoxy-3H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 1-benzyl-4-fluoro-5-phenylmethoxy-3H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 1-benzyl-4-fluoro-5-phenylmethoxy-3H-pyrrolo[2,3-b]pyridin-2-one is O=C1Cc2c(ncc(OCc3ccccc3)c2F)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-fluoro-5-phenylmethoxy-3H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is ONXQQQZTERKKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-20-17-11-19(25)24(13-15-7-3-1-4-8-15)21(17)23-12-18(20)26-14-16-9-5-2-6-10-16/h1-10,12H,11,13-14H2.
What are the key properties of 1-benzyl-4-fluoro-5-phenylmethoxy-3H-pyrrolo[2,3-b]pyridin-2-one?
1-benzyl-4-fluoro-5-phenylmethoxy-3H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 348.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-fluoro-5-phenylmethoxy-3H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 74892020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).