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

C17H15N5O — CID 11210036

IUPAC2-(2-aminopyrimidin-4-yl)-7-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c([nH]2)C(c2ccccc2)CNC3=O)n1
InChIInChI=1S/C17H15N5O/c18-17-19-7-6-13(22-17)14-8-11-15(21-14)12(9-20-16(11)23)10-4-2-1-3-5-10/h1-8,12,21H,9H2,(H,20,23)(H2,18,19,22)
InChIKeyJSXRHMZEQDNBNQ-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.93
Rot. Bonds2

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

2-(2-aminopyrimidin-4-yl)-7-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 11210036) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-7-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-7-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID11210036
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2-(2-aminopyrimidin-4-yl)-7-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c([nH]2)C(c2ccccc2)CNC3=O)n1
InChIInChI=1S/C17H15N5O/c18-17-19-7-6-13(22-17)14-8-11-15(21-14)12(9-20-16(11)23)10-4-2-1-3-5-10/h1-8,12,21H,9H2,(H,20,23)(H2,18,19,22)
InChIKeyJSXRHMZEQDNBNQ-UHFFFAOYSA-N
XLogP1.93
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-7-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-7-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 11210036) is 2-(2-aminopyrimidin-4-yl)-7-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-7-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-7-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is Nc1nccc(-c2cc3c([nH]2)C(c2ccccc2)CNC3=O)n1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-7-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is JSXRHMZEQDNBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c18-17-19-7-6-13(22-17)14-8-11-15(21-14)12(9-20-16(11)23)10-4-2-1-3-5-10/h1-8,12,21H,9H2,(H,20,23)(H2,18,19,22).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-7-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-7-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 305.34 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-7-phenyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11210036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).