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

C29H25N7O — CID 158018647

IUPAC2-(2-propan-2-ylphenyl)-7-[[4-(4-pyridin-3-yltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cc(-c4cccnc4)nn3)cc1)C(=O)C2
InChIInChI=1S/C29H25N7O/c1-19(2)24-7-3-4-8-25(24)28-31-16-22-14-27(37)35(29(22)32-28)17-20-9-11-23(12-10-20)36-18-26(33-34-36)21-6-5-13-30-15-21/h3-13,15-16,18-19H,14,17H2,1-2H3
InChIKeyDPVCRMXUYRDOHO-UHFFFAOYSA-N
MW487.57 g/mol
LogP5.00
Rot. Bonds6

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

2-(2-propan-2-ylphenyl)-7-[[4-(4-pyridin-3-yltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 158018647) has the molecular formula C29H25N7O and a molecular weight of 487.57 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenyl)-7-[[4-(4-pyridin-3-yltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-propan-2-ylphenyl)-7-[[4-(4-pyridin-3-yltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID158018647
Molecular FormulaC29H25N7O
Molecular Weight487.57 g/mol
Exact Mass487.21
IUPAC Name2-(2-propan-2-ylphenyl)-7-[[4-(4-pyridin-3-yltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cc(-c4cccnc4)nn3)cc1)C(=O)C2
InChIInChI=1S/C29H25N7O/c1-19(2)24-7-3-4-8-25(24)28-31-16-22-14-27(37)35(29(22)32-28)17-20-9-11-23(12-10-20)36-18-26(33-34-36)21-6-5-13-30-15-21/h3-13,15-16,18-19H,14,17H2,1-2H3
InChIKeyDPVCRMXUYRDOHO-UHFFFAOYSA-N
XLogP5.00
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-propan-2-ylphenyl)-7-[[4-(4-pyridin-3-yltriazol-1-yl)phenyl]methyl]-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 2-(2-propan-2-ylphenyl)-7-[[4-(4-pyridin-3-yltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-(2-propan-2-ylphenyl)-7-[[4-(4-pyridin-3-yltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 158018647) is 2-(2-propan-2-ylphenyl)-7-[[4-(4-pyridin-3-yltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-(2-propan-2-ylphenyl)-7-[[4-(4-pyridin-3-yltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-(2-propan-2-ylphenyl)-7-[[4-(4-pyridin-3-yltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3cc(-c4cccnc4)nn3)cc1)C(=O)C2.
What is the InChIKey of 2-(2-propan-2-ylphenyl)-7-[[4-(4-pyridin-3-yltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is DPVCRMXUYRDOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N7O/c1-19(2)24-7-3-4-8-25(24)28-31-16-22-14-27(37)35(29(22)32-28)17-20-9-11-23(12-10-20)36-18-26(33-34-36)21-6-5-13-30-15-21/h3-13,15-16,18-19H,14,17H2,1-2H3.
What are the key properties of 2-(2-propan-2-ylphenyl)-7-[[4-(4-pyridin-3-yltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
2-(2-propan-2-ylphenyl)-7-[[4-(4-pyridin-3-yltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 487.57 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenyl)-7-[[4-(4-pyridin-3-yltriazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 158018647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).