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

C25H25FN4O3 — CID 46324112

IUPACN-(2-ethoxyphenyl)-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide
SMILESCCOc1ccccc1NC(=O)CCn1cnc2c(c(C)c(C)n2-c2cccc(F)c2)c1=O
InChIInChI=1S/C25H25FN4O3/c1-4-33-21-11-6-5-10-20(21)28-22(31)12-13-29-15-27-24-23(25(29)32)16(2)17(3)30(24)19-9-7-8-18(26)14-19/h5-11,14-15H,4,12-13H2,1-3H3,(H,28,31)
InChIKeyIQYLIGHPAPKPIG-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.37
Rot. Bonds7

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

N-(2-ethoxyphenyl)-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide (PubChem CID 46324112) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide
PubChem CID46324112
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC NameN-(2-ethoxyphenyl)-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide
SMILESCCOc1ccccc1NC(=O)CCn1cnc2c(c(C)c(C)n2-c2cccc(F)c2)c1=O
InChIInChI=1S/C25H25FN4O3/c1-4-33-21-11-6-5-10-20(21)28-22(31)12-13-29-15-27-24-23(25(29)32)16(2)17(3)30(24)19-9-7-8-18(26)14-19/h5-11,14-15H,4,12-13H2,1-3H3,(H,28,31)
InChIKeyIQYLIGHPAPKPIG-UHFFFAOYSA-N
XLogP4.37
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)propanamide
CID 46324128
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
N-(2-ethoxyphenyl)-2-[3-(3-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 7475935
2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(2-fluorophenyl)acetamide
CID 20931996
N-(2-ethoxyphenyl)-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 50759165
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethoxyphenyl)butanamide
CID 40511732
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
2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-propylacetamide
CID 20932013
3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-ethoxyphenyl)propanamide
CID 46306754

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide (CID 46324112) is N-(2-ethoxyphenyl)-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide is CCOc1ccccc1NC(=O)CCn1cnc2c(c(C)c(C)n2-c2cccc(F)c2)c1=O.
What is the InChIKey of N-(2-ethoxyphenyl)-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide?
The InChIKey is IQYLIGHPAPKPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-4-33-21-11-6-5-10-20(21)28-22(31)12-13-29-15-27-24-23(25(29)32)16(2)17(3)30(24)19-9-7-8-18(26)14-19/h5-11,14-15H,4,12-13H2,1-3H3,(H,28,31).
What are the key properties of N-(2-ethoxyphenyl)-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide?
N-(2-ethoxyphenyl)-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide has a molecular weight of 448.50 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide is sourced from PubChem (CID 46324112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).