7-bromo-3-(3-methylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one

C12H9BrN4O — CID 118617100

IUPAC7-bromo-3-(3-methylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn(-c2cnc3ccc(Br)cn3c2=O)n1
InChIInChI=1S/C12H9BrN4O/c1-8-4-5-17(15-8)10-6-14-11-3-2-9(13)7-16(11)12(10)18/h2-7H,1H3
InChIKeyLGJYNEWKZFEBGV-UHFFFAOYSA-N
MW305.14 g/mol
LogP1.95
Rot. Bonds1

About 7-bromo-3-(3-methylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one

7-bromo-3-(3-methylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 118617100) has the molecular formula C12H9BrN4O and a molecular weight of 305.14 g/mol. Its IUPAC name is 7-bromo-3-(3-methylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-3-(3-methylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID118617100
Molecular FormulaC12H9BrN4O
Molecular Weight305.14 g/mol
Exact Mass304.00
IUPAC Name7-bromo-3-(3-methylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn(-c2cnc3ccc(Br)cn3c2=O)n1
InChIInChI=1S/C12H9BrN4O/c1-8-4-5-17(15-8)10-6-14-11-3-2-9(13)7-16(11)12(10)18/h2-7H,1H3
InChIKeyLGJYNEWKZFEBGV-UHFFFAOYSA-N
XLogP1.95
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(3-methylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-3-(3-methylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one (CID 118617100) is 7-bromo-3-(3-methylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-3-(3-methylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-3-(3-methylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1ccn(-c2cnc3ccc(Br)cn3c2=O)n1.
What is the InChIKey of 7-bromo-3-(3-methylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LGJYNEWKZFEBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O/c1-8-4-5-17(15-8)10-6-14-11-3-2-9(13)7-16(11)12(10)18/h2-7H,1H3.
What are the key properties of 7-bromo-3-(3-methylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one?
7-bromo-3-(3-methylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 305.14 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(3-methylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118617100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).