7-pyridin-2-yl-2-(3,4,5-trimethoxyanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C20H19N5O4 — CID 11474859

IUPAC7-pyridin-2-yl-2-(3,4,5-trimethoxyanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOc1cc(Nc2ncc3c(n2)N(c2ccccn2)C(=O)C3)cc(OC)c1OC
InChIInChI=1S/C20H19N5O4/c1-27-14-9-13(10-15(28-2)18(14)29-3)23-20-22-11-12-8-17(26)25(19(12)24-20)16-6-4-5-7-21-16/h4-7,9-11H,8H2,1-3H3,(H,22,23,24)
InChIKeyOOUTWYFGUXUHIG-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.86
Rot. Bonds6

About 7-pyridin-2-yl-2-(3,4,5-trimethoxyanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-pyridin-2-yl-2-(3,4,5-trimethoxyanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 11474859) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 7-pyridin-2-yl-2-(3,4,5-trimethoxyanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-pyridin-2-yl-2-(3,4,5-trimethoxyanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID11474859
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name7-pyridin-2-yl-2-(3,4,5-trimethoxyanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOc1cc(Nc2ncc3c(n2)N(c2ccccn2)C(=O)C3)cc(OC)c1OC
InChIInChI=1S/C20H19N5O4/c1-27-14-9-13(10-15(28-2)18(14)29-3)23-20-22-11-12-8-17(26)25(19(12)24-20)16-6-4-5-7-21-16/h4-7,9-11H,8H2,1-3H3,(H,22,23,24)
InChIKeyOOUTWYFGUXUHIG-UHFFFAOYSA-N
XLogP2.86
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-pyridin-2-yl-2-(3,4,5-trimethoxyanilino)-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-pyridin-2-yl-2-(3,4,5-trimethoxyanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-pyridin-2-yl-2-(3,4,5-trimethoxyanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 11474859) is 7-pyridin-2-yl-2-(3,4,5-trimethoxyanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-pyridin-2-yl-2-(3,4,5-trimethoxyanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-pyridin-2-yl-2-(3,4,5-trimethoxyanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one is COc1cc(Nc2ncc3c(n2)N(c2ccccn2)C(=O)C3)cc(OC)c1OC.
What is the InChIKey of 7-pyridin-2-yl-2-(3,4,5-trimethoxyanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is OOUTWYFGUXUHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-27-14-9-13(10-15(28-2)18(14)29-3)23-20-22-11-12-8-17(26)25(19(12)24-20)16-6-4-5-7-21-16/h4-7,9-11H,8H2,1-3H3,(H,22,23,24).
What are the key properties of 7-pyridin-2-yl-2-(3,4,5-trimethoxyanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-pyridin-2-yl-2-(3,4,5-trimethoxyanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 393.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-2-yl-2-(3,4,5-trimethoxyanilino)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 11474859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).