2-(2-anilinopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C17H15N5O — CID 11267850

IUPAC2-(2-anilinopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc(Nc4ccccc4)n3)cc21
InChIInChI=1S/C17H15N5O/c23-16-12-10-15(21-13(12)6-8-18-16)14-7-9-19-17(22-14)20-11-4-2-1-3-5-11/h1-5,7,9-10,21H,6,8H2,(H,18,23)(H,19,20,22)
InChIKeyYOJCMEFJFBXYOX-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.50
Rot. Bonds3

About 2-(2-anilinopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-(2-anilinopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 11267850) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(2-anilinopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-anilinopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID11267850
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2-(2-anilinopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc(Nc4ccccc4)n3)cc21
InChIInChI=1S/C17H15N5O/c23-16-12-10-15(21-13(12)6-8-18-16)14-7-9-19-17(22-14)20-11-4-2-1-3-5-11/h1-5,7,9-10,21H,6,8H2,(H,18,23)(H,19,20,22)
InChIKeyYOJCMEFJFBXYOX-UHFFFAOYSA-N
XLogP2.50
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2-anilinopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-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-anilinopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-anilinopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 11267850) is 2-(2-anilinopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-anilinopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-anilinopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]c(-c3ccnc(Nc4ccccc4)n3)cc21.
What is the InChIKey of 2-(2-anilinopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is YOJCMEFJFBXYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-16-12-10-15(21-13(12)6-8-18-16)14-7-9-19-17(22-14)20-11-4-2-1-3-5-11/h1-5,7,9-10,21H,6,8H2,(H,18,23)(H,19,20,22).
What are the key properties of 2-(2-anilinopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2-anilinopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 305.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilinopyrimidin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11267850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).