2-(2-propan-2-ylphenyl)-7-[(1S,2R)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C28H27N5O — CID 158244595

IUPAC2-(2-propan-2-ylphenyl)-7-[(1S,2R)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)N([C@H]1CC[C@@H]1c1ccc(-n3cccn3)cc1)C(=O)C2
InChIInChI=1S/C28H27N5O/c1-18(2)22-6-3-4-7-24(22)27-29-17-20-16-26(34)33(28(20)31-27)25-13-12-23(25)19-8-10-21(11-9-19)32-15-5-14-30-32/h3-11,14-15,17-18,23,25H,12-13,16H2,1-2H3/t23-,25+/m1/s1
InChIKeyTYUGTFKOLUZLOB-NOZRDPDXSA-N
MW449.56 g/mol
LogP5.29
Rot. Bonds5

About 2-(2-propan-2-ylphenyl)-7-[(1S,2R)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

2-(2-propan-2-ylphenyl)-7-[(1S,2R)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 158244595) has the molecular formula C28H27N5O and a molecular weight of 449.56 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenyl)-7-[(1S,2R)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-propan-2-ylphenyl)-7-[(1S,2R)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID158244595
Molecular FormulaC28H27N5O
Molecular Weight449.56 g/mol
Exact Mass449.22
IUPAC Name2-(2-propan-2-ylphenyl)-7-[(1S,2R)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)N([C@H]1CC[C@@H]1c1ccc(-n3cccn3)cc1)C(=O)C2
InChIInChI=1S/C28H27N5O/c1-18(2)22-6-3-4-7-24(22)27-29-17-20-16-26(34)33(28(20)31-27)25-13-12-23(25)19-8-10-21(11-9-19)32-15-5-14-30-32/h3-11,14-15,17-18,23,25H,12-13,16H2,1-2H3/t23-,25+/m1/s1
InChIKeyTYUGTFKOLUZLOB-NOZRDPDXSA-N
XLogP5.29
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-propan-2-ylphenyl)-7-[(1S,2R)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one 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

7-[(1R,2S)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 161155755
2-(2-propan-2-ylphenyl)-9-[(1R,2S)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-7H-purin-8-one
CID 129139871
7-[[4-(4-piperidin-4-ylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160963219
7-[[4-(3-ethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167672376
tris(7-[[4-(3-cyclohexylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one);7-[1-(4-methylphenyl)cyclopropyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[1-(4-pyrazol-1-ylphenyl)cyclopropyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167659700
2-(2-propan-2-ylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one
CID 129140147
7-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158042379
7-[[4-[1-methyl-5-(1-methylpiperidin-4-yl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158547040
ethane;N-[2-(2-propan-2-ylphenyl)-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrimidin-5-yl]oxetane-3-carboxamide
CID 165406221
7-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[2-(1-pyridin-3-ylpiperidin-4-yl)ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167646342
7-[2-(2-propan-2-ylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-yl]-3-oxa-5-azabicyclo[7.3.1]tridecane
CID 170564074
7-[[4-[(3S)-3-methylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 159951521

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenyl)-7-[(1S,2R)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-(2-propan-2-ylphenyl)-7-[(1S,2R)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 158244595) is 2-(2-propan-2-ylphenyl)-7-[(1S,2R)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-(2-propan-2-ylphenyl)-7-[(1S,2R)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-(2-propan-2-ylphenyl)-7-[(1S,2R)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)c1ccccc1-c1ncc2c(n1)N([C@H]1CC[C@@H]1c1ccc(-n3cccn3)cc1)C(=O)C2.
What is the InChIKey of 2-(2-propan-2-ylphenyl)-7-[(1S,2R)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is TYUGTFKOLUZLOB-NOZRDPDXSA-N. The full InChI is InChI=1S/C28H27N5O/c1-18(2)22-6-3-4-7-24(22)27-29-17-20-16-26(34)33(28(20)31-27)25-13-12-23(25)19-8-10-21(11-9-19)32-15-5-14-30-32/h3-11,14-15,17-18,23,25H,12-13,16H2,1-2H3/t23-,25+/m1/s1.
What are the key properties of 2-(2-propan-2-ylphenyl)-7-[(1S,2R)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
2-(2-propan-2-ylphenyl)-7-[(1S,2R)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 449.56 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenyl)-7-[(1S,2R)-2-(4-pyrazol-1-ylphenyl)cyclobutyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 158244595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).