[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone

C22H19ClFN3O — CID 134794107

IUPAC[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone
SMILESCCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C22H19ClFN3O/c1-2-20-25-19-11-12-27(22(28)16-5-3-4-6-18(16)24)13-17(19)21(26-20)14-7-9-15(23)10-8-14/h3-10H,2,11-13H2,1H3
InChIKeyHXOPFHPWUYKTOG-UHFFFAOYSA-N
MW395.87 g/mol
LogP4.70
Rot. Bonds3

About [4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone

[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone (PubChem CID 134794107) has the molecular formula C22H19ClFN3O and a molecular weight of 395.87 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone
PubChem CID134794107
Molecular FormulaC22H19ClFN3O
Molecular Weight395.87 g/mol
Exact Mass395.12
IUPAC Name[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone
SMILESCCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C22H19ClFN3O/c1-2-20-25-19-11-12-27(22(28)16-5-3-4-6-18(16)24)13-17(19)21(26-20)14-7-9-15(23)10-8-14/h3-10H,2,11-13H2,1H3
InChIKeyHXOPFHPWUYKTOG-UHFFFAOYSA-N
XLogP4.70
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone (CID 134794107) is [4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone is CCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(C(=O)c1ccccc1F)CC2.
What is the InChIKey of [4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone?
The InChIKey is HXOPFHPWUYKTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O/c1-2-20-25-19-11-12-27(22(28)16-5-3-4-6-18(16)24)13-17(19)21(26-20)14-7-9-15(23)10-8-14/h3-10H,2,11-13H2,1H3.
What are the key properties of [4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone?
[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone has a molecular weight of 395.87 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 134794107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).