7-[[4-(6-methylimidazo[1,2-a]pyrazin-8-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C29H26N6O — CID 158773900

IUPAC7-[[4-(6-methylimidazo[1,2-a]pyrazin-8-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1cn2ccnc2c(-c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)n1
InChIInChI=1S/C29H26N6O/c1-18(2)23-6-4-5-7-24(23)27-31-15-22-14-25(36)35(28(22)33-27)17-20-8-10-21(11-9-20)26-29-30-12-13-34(29)16-19(3)32-26/h4-13,15-16,18H,14,17H2,1-3H3
InChIKeyVQSDEYDNMIEYAC-UHFFFAOYSA-N
MW474.57 g/mol
LogP5.37
Rot. Bonds5

About 7-[[4-(6-methylimidazo[1,2-a]pyrazin-8-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-[[4-(6-methylimidazo[1,2-a]pyrazin-8-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 158773900) has the molecular formula C29H26N6O and a molecular weight of 474.57 g/mol. Its IUPAC name is 7-[[4-(6-methylimidazo[1,2-a]pyrazin-8-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-[[4-(6-methylimidazo[1,2-a]pyrazin-8-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID158773900
Molecular FormulaC29H26N6O
Molecular Weight474.57 g/mol
Exact Mass474.22
IUPAC Name7-[[4-(6-methylimidazo[1,2-a]pyrazin-8-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1cn2ccnc2c(-c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)n1
InChIInChI=1S/C29H26N6O/c1-18(2)23-6-4-5-7-24(23)27-31-15-22-14-25(36)35(28(22)33-27)17-20-8-10-21(11-9-20)26-29-30-12-13-34(29)16-19(3)32-26/h4-13,15-16,18H,14,17H2,1-3H3
InChIKeyVQSDEYDNMIEYAC-UHFFFAOYSA-N
XLogP5.37
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[[4-(6-methylimidazo[1,2-a]pyrazin-8-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

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(6-methylimidazo[1,2-a]pyrazin-8-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-[[4-(6-methylimidazo[1,2-a]pyrazin-8-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 158773900) is 7-[[4-(6-methylimidazo[1,2-a]pyrazin-8-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-[[4-(6-methylimidazo[1,2-a]pyrazin-8-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-[[4-(6-methylimidazo[1,2-a]pyrazin-8-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1cn2ccnc2c(-c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)n1.
What is the InChIKey of 7-[[4-(6-methylimidazo[1,2-a]pyrazin-8-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is VQSDEYDNMIEYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O/c1-18(2)23-6-4-5-7-24(23)27-31-15-22-14-25(36)35(28(22)33-27)17-20-8-10-21(11-9-20)26-29-30-12-13-34(29)16-19(3)32-26/h4-13,15-16,18H,14,17H2,1-3H3.
What are the key properties of 7-[[4-(6-methylimidazo[1,2-a]pyrazin-8-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-[[4-(6-methylimidazo[1,2-a]pyrazin-8-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 474.57 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(6-methylimidazo[1,2-a]pyrazin-8-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 158773900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).