2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide

C23H23ClN4O3 — CID 92707125

IUPAC2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide
SMILESCc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)N[C@@H](C)Cc3ccco3)c(=O)c12
InChIInChI=1S/C23H23ClN4O3/c1-14(11-19-5-4-10-31-19)26-20(29)12-27-13-25-22-21(23(27)30)15(2)16(3)28(22)18-8-6-17(24)7-9-18/h4-10,13-14H,11-12H2,1-3H3,(H,26,29)/t14-/m0/s1
InChIKeyUQMBHZJZDWWMGJ-AWEZNQCLSA-N
MW438.92 g/mol
LogP3.80
Rot. Bonds6

About 2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide

2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide (PubChem CID 92707125) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide
PubChem CID92707125
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide
SMILESCc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)N[C@@H](C)Cc3ccco3)c(=O)c12
InChIInChI=1S/C23H23ClN4O3/c1-14(11-19-5-4-10-31-19)26-20(29)12-27-13-25-22-21(23(27)30)15(2)16(3)28(22)18-8-6-17(24)7-9-18/h4-10,13-14H,11-12H2,1-3H3,(H,26,29)/t14-/m0/s1
InChIKeyUQMBHZJZDWWMGJ-AWEZNQCLSA-N
XLogP3.80
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide with MolForge

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Related Compounds

2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 20932135
2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 20932113
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 95074228
2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-cycloheptylacetamide
CID 20932106
2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propylacetamide
CID 20932114
2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92707123
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-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 20932054
2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 20932081
2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide
CID 93060408
N-[(4-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]propanamide
CID 46324075

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide?
The IUPAC name of 2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide (CID 92707125) is 2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide is Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)N[C@@H](C)Cc3ccco3)c(=O)c12.
What is the InChIKey of 2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide?
The InChIKey is UQMBHZJZDWWMGJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-14(11-19-5-4-10-31-19)26-20(29)12-27-13-25-22-21(23(27)30)15(2)16(3)28(22)18-8-6-17(24)7-9-18/h4-10,13-14H,11-12H2,1-3H3,(H,26,29)/t14-/m0/s1.
What are the key properties of 2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide?
2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide has a molecular weight of 438.92 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide is sourced from PubChem (CID 92707125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).