5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one

C17H15BrN4O — CID 135646531

IUPAC5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCC2)nc2nccc(-c3ccc(Br)cc3)c12
InChIInChI=1S/C17H15BrN4O/c18-12-5-3-11(4-6-12)13-7-8-19-15-14(13)16(23)21-17(20-15)22-9-1-2-10-22/h3-8H,1-2,9-10H2,(H,19,20,21,23)
InChIKeyHTHSFEBKWJYOGV-UHFFFAOYSA-N
MW371.24 g/mol
LogP3.35
Rot. Bonds2

About 5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one

5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135646531) has the molecular formula C17H15BrN4O and a molecular weight of 371.24 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135646531
Molecular FormulaC17H15BrN4O
Molecular Weight371.24 g/mol
Exact Mass370.04
IUPAC Name5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCC2)nc2nccc(-c3ccc(Br)cc3)c12
InChIInChI=1S/C17H15BrN4O/c18-12-5-3-11(4-6-12)13-7-8-19-15-14(13)16(23)21-17(20-15)22-9-1-2-10-22/h3-8H,1-2,9-10H2,(H,19,20,21,23)
InChIKeyHTHSFEBKWJYOGV-UHFFFAOYSA-N
XLogP3.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135646531) is 5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(N2CCCC2)nc2nccc(-c3ccc(Br)cc3)c12.
What is the InChIKey of 5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is HTHSFEBKWJYOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O/c18-12-5-3-11(4-6-12)13-7-8-19-15-14(13)16(23)21-17(20-15)22-9-1-2-10-22/h3-8H,1-2,9-10H2,(H,19,20,21,23).
What are the key properties of 5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 371.24 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135646531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).