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

C23H22FN5O2 — CID 46324066

IUPAC3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)NCc3ccccn3)c(=O)c12
InChIInChI=1S/C23H22FN5O2/c1-15-16(2)29(19-8-5-6-17(24)12-19)22-21(15)23(31)28(14-27-22)11-9-20(30)26-13-18-7-3-4-10-25-18/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,26,30)
InChIKeyKYZWESZYZOSWSS-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.04
Rot. Bonds6

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

3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 46324066) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID46324066
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)NCc3ccccn3)c(=O)c12
InChIInChI=1S/C23H22FN5O2/c1-15-16(2)29(19-8-5-6-17(24)12-19)22-21(15)23(31)28(14-27-22)11-9-20(30)26-13-18-7-3-4-10-25-18/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,26,30)
InChIKeyKYZWESZYZOSWSS-UHFFFAOYSA-N
XLogP3.04
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2-methoxyphenyl)propanamide
CID 46324128
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-(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
3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 16881983
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
1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42818134
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 35322613
2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(2-fluorophenyl)acetamide
CID 20931996
2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-propylacetamide
CID 20932013
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 742942

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-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide (CID 46324066) is 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide is Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)NCc3ccccn3)c(=O)c12.
What is the InChIKey of 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is KYZWESZYZOSWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-15-16(2)29(19-8-5-6-17(24)12-19)22-21(15)23(31)28(14-27-22)11-9-20(30)26-13-18-7-3-4-10-25-18/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,26,30).
What are the key properties of 3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide?
3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 419.46 g/mol, XLogP of 3.04, 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-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 46324066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).