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

C17H15N5O — CID 23585246

IUPAC2-(2-aminopyrimidin-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c(n2-c2ccccc2)CCNC3=O)n1
InChIInChI=1S/C17H15N5O/c18-17-20-8-6-13(21-17)15-10-12-14(7-9-19-16(12)23)22(15)11-4-2-1-3-5-11/h1-6,8,10H,7,9H2,(H,19,23)(H2,18,20,21)
InChIKeyUDXMXAGSJLKOGP-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.80
Rot. Bonds2

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

2-(2-aminopyrimidin-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 23585246) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID23585246
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2-(2-aminopyrimidin-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESNc1nccc(-c2cc3c(n2-c2ccccc2)CCNC3=O)n1
InChIInChI=1S/C17H15N5O/c18-17-20-8-6-13(21-17)15-10-12-14(7-9-19-16(12)23)22(15)11-4-2-1-3-5-11/h1-6,8,10H,7,9H2,(H,19,23)(H2,18,20,21)
InChIKeyUDXMXAGSJLKOGP-UHFFFAOYSA-N
XLogP1.80
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 23585246) is 2-(2-aminopyrimidin-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is Nc1nccc(-c2cc3c(n2-c2ccccc2)CCNC3=O)n1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is UDXMXAGSJLKOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c18-17-20-8-6-13(21-17)15-10-12-14(7-9-19-16(12)23)22(15)11-4-2-1-3-5-11/h1-6,8,10H,7,9H2,(H,19,23)(H2,18,20,21).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
2-(2-aminopyrimidin-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 305.34 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-1-phenyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 23585246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).