3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)propanamide

C24H23FN4O3 — CID 46324128

IUPAC3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCn1cnc2c(c(C)c(C)n2-c2cccc(F)c2)c1=O
InChIInChI=1S/C24H23FN4O3/c1-15-16(2)29(18-8-6-7-17(25)13-18)23-22(15)24(31)28(14-26-23)12-11-21(30)27-19-9-4-5-10-20(19)32-3/h4-10,13-14H,11-12H2,1-3H3,(H,27,30)
InChIKeyJUMGEUOVMLZXRH-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.98
Rot. Bonds6

About 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)propanamide

3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)propanamide (PubChem CID 46324128) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)propanamide
PubChem CID46324128
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCn1cnc2c(c(C)c(C)n2-c2cccc(F)c2)c1=O
InChIInChI=1S/C24H23FN4O3/c1-15-16(2)29(18-8-6-7-17(25)13-18)23-22(15)24(31)28(14-26-23)12-11-21(30)27-19-9-4-5-10-20(19)32-3/h4-10,13-14H,11-12H2,1-3H3,(H,27,30)
InChIKeyJUMGEUOVMLZXRH-UHFFFAOYSA-N
XLogP3.98
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide
CID 46324112
3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 46324066
N-[(4-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide
CID 46324075
3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide
CID 46324143
7-(3-fluorophenyl)-5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 46324101
2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(2-fluorophenyl)acetamide
CID 20931996
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide
CID 6494608
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 31301273
3-[(4R,5S)-5-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 100715983
3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 92746838
3-[3-(2-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyphenyl)propanamide
CID 46279980
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 20932051

Frequently Asked Questions

What is the IUPAC name of 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)propanamide (CID 46324128) is 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCn1cnc2c(c(C)c(C)n2-c2cccc(F)c2)c1=O.
What is the InChIKey of 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is JUMGEUOVMLZXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-15-16(2)29(18-8-6-7-17(25)13-18)23-22(15)24(31)28(14-26-23)12-11-21(30)27-19-9-4-5-10-20(19)32-3/h4-10,13-14H,11-12H2,1-3H3,(H,27,30).
What are the key properties of 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)propanamide?
3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 434.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 46324128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).