5-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-2-one

C22H18BrN5O2S — CID 163337189

IUPAC5-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-2-one
SMILESCC(C)C1C(=O)N=C2c3ccccc3N=C(SCc3cc(=O)n4cc(Br)ccc4n3)N21
InChIInChI=1S/C22H18BrN5O2S/c1-12(2)19-21(30)26-20-15-5-3-4-6-16(15)25-22(28(19)20)31-11-14-9-18(29)27-10-13(23)7-8-17(27)24-14/h3-10,12,19H,11H2,1-2H3
InChIKeyFYANOIRNNDQSIS-UHFFFAOYSA-N
MW496.39 g/mol
LogP4.00
Rot. Bonds3

About 5-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-2-one

5-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-2-one (PubChem CID 163337189) has the molecular formula C22H18BrN5O2S and a molecular weight of 496.39 g/mol. Its IUPAC name is 5-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-2-one.

Molecular Properties

Compound Name5-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-2-one
PubChem CID163337189
Molecular FormulaC22H18BrN5O2S
Molecular Weight496.39 g/mol
Exact Mass495.04
IUPAC Name5-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-2-one
SMILESCC(C)C1C(=O)N=C2c3ccccc3N=C(SCc3cc(=O)n4cc(Br)ccc4n3)N21
InChIInChI=1S/C22H18BrN5O2S/c1-12(2)19-21(30)26-20-15-5-3-4-6-16(15)25-22(28(19)20)31-11-14-9-18(29)27-10-13(23)7-8-17(27)24-14/h3-10,12,19H,11H2,1-2H3
InChIKeyFYANOIRNNDQSIS-UHFFFAOYSA-N
XLogP4.00
TPSA79.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-2-one?
The IUPAC name of 5-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-2-one (CID 163337189) is 5-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-2-one.
What is the SMILES notation for 5-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-2-one?
The canonical SMILES for 5-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-2-one is CC(C)C1C(=O)N=C2c3ccccc3N=C(SCc3cc(=O)n4cc(Br)ccc4n3)N21.
What is the InChIKey of 5-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-2-one?
The InChIKey is FYANOIRNNDQSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN5O2S/c1-12(2)19-21(30)26-20-15-5-3-4-6-16(15)25-22(28(19)20)31-11-14-9-18(29)27-10-13(23)7-8-17(27)24-14/h3-10,12,19H,11H2,1-2H3.
What are the key properties of 5-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-2-one?
5-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-2-one has a molecular weight of 496.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-2-one is sourced from PubChem (CID 163337189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).