7,9-dichloro-6-methyl-2-[[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C22H21Cl2N5O — CID 167850812

IUPAC7,9-dichloro-6-methyl-2-[[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nccn1-c1ccc(C(C)NCc2cc(=O)n3c(C)c(Cl)cc(Cl)c3n2)cc1
InChIInChI=1S/C22H21Cl2N5O/c1-13(16-4-6-18(7-5-16)28-9-8-25-15(28)3)26-12-17-10-21(30)29-14(2)19(23)11-20(24)22(29)27-17/h4-11,13,26H,12H2,1-3H3
InChIKeyZDXINMOJYUQTJN-UHFFFAOYSA-N
MW442.35 g/mol
LogP4.65
Rot. Bonds5

About 7,9-dichloro-6-methyl-2-[[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

7,9-dichloro-6-methyl-2-[[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 167850812) has the molecular formula C22H21Cl2N5O and a molecular weight of 442.35 g/mol. Its IUPAC name is 7,9-dichloro-6-methyl-2-[[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7,9-dichloro-6-methyl-2-[[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID167850812
Molecular FormulaC22H21Cl2N5O
Molecular Weight442.35 g/mol
Exact Mass441.11
IUPAC Name7,9-dichloro-6-methyl-2-[[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nccn1-c1ccc(C(C)NCc2cc(=O)n3c(C)c(Cl)cc(Cl)c3n2)cc1
InChIInChI=1S/C22H21Cl2N5O/c1-13(16-4-6-18(7-5-16)28-9-8-25-15(28)3)26-12-17-10-21(30)29-14(2)19(23)11-20(24)22(29)27-17/h4-11,13,26H,12H2,1-3H3
InChIKeyZDXINMOJYUQTJN-UHFFFAOYSA-N
XLogP4.65
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.35
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,9-dichloro-6-methyl-2-[[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7,9-dichloro-6-methyl-2-[[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 167850812) is 7,9-dichloro-6-methyl-2-[[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7,9-dichloro-6-methyl-2-[[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7,9-dichloro-6-methyl-2-[[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1nccn1-c1ccc(C(C)NCc2cc(=O)n3c(C)c(Cl)cc(Cl)c3n2)cc1.
What is the InChIKey of 7,9-dichloro-6-methyl-2-[[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZDXINMOJYUQTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N5O/c1-13(16-4-6-18(7-5-16)28-9-8-25-15(28)3)26-12-17-10-21(30)29-14(2)19(23)11-20(24)22(29)27-17/h4-11,13,26H,12H2,1-3H3.
What are the key properties of 7,9-dichloro-6-methyl-2-[[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7,9-dichloro-6-methyl-2-[[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 442.35 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dichloro-6-methyl-2-[[1-[4-(2-methylimidazol-1-yl)phenyl]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 167850812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).