N-(1,3-benzodioxol-5-yl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide

C23H18FN3O4 — CID 53164348

IUPACN-(1,3-benzodioxol-5-yl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
SMILESO=C(Cn1ccc2ccn(Cc3cccc(F)c3)c2c1=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C23H18FN3O4/c24-17-3-1-2-15(10-17)12-26-8-6-16-7-9-27(23(29)22(16)26)13-21(28)25-18-4-5-19-20(11-18)31-14-30-19/h1-11H,12-14H2,(H,25,28)
InChIKeyYLTQJTOYODPQPA-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.36
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide (PubChem CID 53164348) has the molecular formula C23H18FN3O4 and a molecular weight of 419.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
PubChem CID53164348
Molecular FormulaC23H18FN3O4
Molecular Weight419.41 g/mol
Exact Mass419.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
SMILESO=C(Cn1ccc2ccn(Cc3cccc(F)c3)c2c1=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C23H18FN3O4/c24-17-3-1-2-15(10-17)12-26-8-6-16-7-9-27(23(29)22(16)26)13-21(28)25-18-4-5-19-20(11-18)31-14-30-19/h1-11H,12-14H2,(H,25,28)
InChIKeyYLTQJTOYODPQPA-UHFFFAOYSA-N
XLogP3.36
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164326
N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164338
N-(2-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164329
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(3,4-difluorophenyl)acetamide
CID 53164239
N-(1,3-benzodioxol-5-yl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 51370128
1-(1,3-benzodioxol-5-yl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290583
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide
CID 39339095
methyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate
CID 166596703
N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide
CID 2709600
N-(1,3-benzodioxol-5-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
CID 53180480
N-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342795
N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide
CID 1158540

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide (CID 53164348) is N-(1,3-benzodioxol-5-yl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide is O=C(Cn1ccc2ccn(Cc3cccc(F)c3)c2c1=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?
The InChIKey is YLTQJTOYODPQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4/c24-17-3-1-2-15(10-17)12-26-8-6-16-7-9-27(23(29)22(16)26)13-21(28)25-18-4-5-19-20(11-18)31-14-30-19/h1-11H,12-14H2,(H,25,28).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide has a molecular weight of 419.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 53164348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).