7-[[4-(1-propan-2-ylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C28H29N5O — CID 158016717

IUPAC7-[[4-(1-propan-2-ylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3cn(C(C)C)cn3)cc1)C(=O)C2
InChIInChI=1S/C28H29N5O/c1-18(2)23-7-5-6-8-24(23)27-29-14-22-13-26(34)33(28(22)31-27)15-20-9-11-21(12-10-20)25-16-32(17-30-25)19(3)4/h5-12,14,16-19H,13,15H2,1-4H3
InChIKeyFMFJCYSUCNMUSD-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.80
Rot. Bonds6

About 7-[[4-(1-propan-2-ylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-[[4-(1-propan-2-ylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 158016717) has the molecular formula C28H29N5O and a molecular weight of 451.57 g/mol. Its IUPAC name is 7-[[4-(1-propan-2-ylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-[[4-(1-propan-2-ylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID158016717
Molecular FormulaC28H29N5O
Molecular Weight451.57 g/mol
Exact Mass451.24
IUPAC Name7-[[4-(1-propan-2-ylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3cn(C(C)C)cn3)cc1)C(=O)C2
InChIInChI=1S/C28H29N5O/c1-18(2)23-7-5-6-8-24(23)27-29-14-22-13-26(34)33(28(22)31-27)15-20-9-11-21(12-10-20)25-16-32(17-30-25)19(3)4/h5-12,14,16-19H,13,15H2,1-4H3
InChIKeyFMFJCYSUCNMUSD-UHFFFAOYSA-N
XLogP5.80
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[[4-(1-propan-2-ylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-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

Acalabrutinib
CID 71226662
Zolpidem
CID 5732
Imidazopyridine 12a
CID 5329347
Imidazopyridine 12c
CID 5329349
4-Methyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10694900
1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 146316177
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-(4-{imidazo[1,2-a]pyridin-6-yl}phenyl)-3-oxopropan-2-aminium; 2,2,2-trifluoroacetate
CID 91895714
US9758524, Example 93
CID 71607919
4-ethyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
CID 10624048
N-[[2-(4-fluorophenyl)-3-[2-[(1S)-1-phenylethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]acetamide
CID 44419856
N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 843189
N-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 930233

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(1-propan-2-ylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-[[4-(1-propan-2-ylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 158016717) is 7-[[4-(1-propan-2-ylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-[[4-(1-propan-2-ylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-[[4-(1-propan-2-ylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3cn(C(C)C)cn3)cc1)C(=O)C2.
What is the InChIKey of 7-[[4-(1-propan-2-ylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is FMFJCYSUCNMUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O/c1-18(2)23-7-5-6-8-24(23)27-29-14-22-13-26(34)33(28(22)31-27)15-20-9-11-21(12-10-20)25-16-32(17-30-25)19(3)4/h5-12,14,16-19H,13,15H2,1-4H3.
What are the key properties of 7-[[4-(1-propan-2-ylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-[[4-(1-propan-2-ylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 451.57 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(1-propan-2-ylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 158016717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).