2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C22H23N3O4 — CID 42886689

IUPAC2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(OC)c(C2=CCN(c3cc(=O)n4ccccc4n3)CC2)c(OC)c1
InChIInChI=1S/C22H23N3O4/c1-27-16-12-17(28-2)22(18(13-16)29-3)15-7-10-24(11-8-15)20-14-21(26)25-9-5-4-6-19(25)23-20/h4-7,9,12-14H,8,10-11H2,1-3H3
InChIKeyRPGLKEOGAJLEHB-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.01
Rot. Bonds5

About 2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 42886689) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID42886689
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(OC)c(C2=CCN(c3cc(=O)n4ccccc4n3)CC2)c(OC)c1
InChIInChI=1S/C22H23N3O4/c1-27-16-12-17(28-2)22(18(13-16)29-3)15-7-10-24(11-8-15)20-14-21(26)25-9-5-4-6-19(25)23-20/h4-7,9,12-14H,8,10-11H2,1-3H3
InChIKeyRPGLKEOGAJLEHB-UHFFFAOYSA-N
XLogP3.01
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 42886689) is 2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrido[1,2-a]pyrimidin-4-one is COc1cc(OC)c(C2=CCN(c3cc(=O)n4ccccc4n3)CC2)c(OC)c1.
What is the InChIKey of 2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RPGLKEOGAJLEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-16-12-17(28-2)22(18(13-16)29-3)15-7-10-24(11-8-15)20-14-21(26)25-9-5-4-6-19(25)23-20/h4-7,9,12-14H,8,10-11H2,1-3H3.
What are the key properties of 2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 393.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42886689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).