7-chloro-2-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C21H19Cl2N5O2 — CID 78825284

IUPAC7-chloro-2-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCN(Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C21H19Cl2N5O2/c1-2-9-27(12-15-10-20(29)28-11-14(22)7-8-18(28)24-15)13-19-25-26-21(30-19)16-5-3-4-6-17(16)23/h3-8,10-11H,2,9,12-13H2,1H3
InChIKeyDBLMXKUMNISLPE-UHFFFAOYSA-N
MW444.32 g/mol
LogP4.46
Rot. Bonds7

About 7-chloro-2-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 78825284) has the molecular formula C21H19Cl2N5O2 and a molecular weight of 444.32 g/mol. Its IUPAC name is 7-chloro-2-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID78825284
Molecular FormulaC21H19Cl2N5O2
Molecular Weight444.32 g/mol
Exact Mass443.09
IUPAC Name7-chloro-2-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCN(Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C21H19Cl2N5O2/c1-2-9-27(12-15-10-20(29)28-11-14(22)7-8-18(28)24-15)13-19-25-26-21(30-19)16-5-3-4-6-17(16)23/h3-8,10-11H,2,9,12-13H2,1H3
InChIKeyDBLMXKUMNISLPE-UHFFFAOYSA-N
XLogP4.46
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.32
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 78825284) is 7-chloro-2-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is CCCN(Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of 7-chloro-2-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DBLMXKUMNISLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N5O2/c1-2-9-27(12-15-10-20(29)28-11-14(22)7-8-18(28)24-15)13-19-25-26-21(30-19)16-5-3-4-6-17(16)23/h3-8,10-11H,2,9,12-13H2,1H3.
What are the key properties of 7-chloro-2-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 444.32 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 78825284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).