6-(4-bromophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one

C17H15BrN4O — CID 30467452

IUPAC6-(4-bromophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
SMILESO=c1c2cnc(N3CCCC3)nc2ccn1-c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN4O/c18-12-3-5-13(6-4-12)22-10-7-15-14(16(22)23)11-19-17(20-15)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9H2
InChIKeyUZYLTXHLKUDVQF-UHFFFAOYSA-N
MW371.24 g/mol
LogP3.14
Rot. Bonds2

About 6-(4-bromophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one

6-(4-bromophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 30467452) has the molecular formula C17H15BrN4O and a molecular weight of 371.24 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
PubChem CID30467452
Molecular FormulaC17H15BrN4O
Molecular Weight371.24 g/mol
Exact Mass370.04
IUPAC Name6-(4-bromophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
SMILESO=c1c2cnc(N3CCCC3)nc2ccn1-c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN4O/c18-12-3-5-13(6-4-12)22-10-7-15-14(16(22)23)11-19-17(20-15)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9H2
InChIKeyUZYLTXHLKUDVQF-UHFFFAOYSA-N
XLogP3.14
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-(4-bromophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one (CID 30467452) is 6-(4-bromophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-(4-bromophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-(4-bromophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one is O=c1c2cnc(N3CCCC3)nc2ccn1-c1ccc(Br)cc1.
What is the InChIKey of 6-(4-bromophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is UZYLTXHLKUDVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O/c18-12-3-5-13(6-4-12)22-10-7-15-14(16(22)23)11-19-17(20-15)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9H2.
What are the key properties of 6-(4-bromophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
6-(4-bromophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 371.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 30467452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).