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

C24H22ClFN4O2 — CID 46324075

IUPACN-[(4-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide
SMILESCc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)NCc3ccc(Cl)cc3)c(=O)c12
InChIInChI=1S/C24H22ClFN4O2/c1-15-16(2)30(20-5-3-4-19(26)12-20)23-22(15)24(32)29(14-28-23)11-10-21(31)27-13-17-6-8-18(25)9-7-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,27,31)
InChIKeyQIISCAOFSUEJEU-UHFFFAOYSA-N
MW452.92 g/mol
LogP4.30
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide (PubChem CID 46324075) has the molecular formula C24H22ClFN4O2 and a molecular weight of 452.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide
PubChem CID46324075
Molecular FormulaC24H22ClFN4O2
Molecular Weight452.92 g/mol
Exact Mass452.14
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide
SMILESCc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)NCc3ccc(Cl)cc3)c(=O)c12
InChIInChI=1S/C24H22ClFN4O2/c1-15-16(2)30(20-5-3-4-19(26)12-20)23-22(15)24(32)29(14-28-23)11-10-21(31)27-13-17-6-8-18(25)9-7-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,27,31)
InChIKeyQIISCAOFSUEJEU-UHFFFAOYSA-N
XLogP4.30
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 46324066
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
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 20932113
3-[7-(5-chloro-2-methylphenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-cyclohexylpropanamide
CID 46324168
2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propylacetamide
CID 20932114
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 53024199
N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26053992
N-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16883143

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide (CID 46324075) is N-[(4-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide is Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)NCc3ccc(Cl)cc3)c(=O)c12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide?
The InChIKey is QIISCAOFSUEJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O2/c1-15-16(2)30(20-5-3-4-19(26)12-20)23-22(15)24(32)29(14-28-23)11-10-21(31)27-13-17-6-8-18(25)9-7-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,27,31).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide?
N-[(4-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide has a molecular weight of 452.92 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide is sourced from PubChem (CID 46324075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).