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

C22H17ClF3N3O — CID 134791907

IUPAC[4-(4-chlorophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C22H17ClF3N3O/c1-13-27-19-10-11-29(21(30)15-2-6-16(7-3-15)22(24,25)26)12-18(19)20(28-13)14-4-8-17(23)9-5-14/h2-9H,10-12H2,1H3
InChIKeyCUAXMQOOXRMQDK-UHFFFAOYSA-N
MW431.85 g/mol
LogP5.32
Rot. Bonds2

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

[4-(4-chlorophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 134791907) has the molecular formula C22H17ClF3N3O and a molecular weight of 431.85 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID134791907
Molecular FormulaC22H17ClF3N3O
Molecular Weight431.85 g/mol
Exact Mass431.10
IUPAC Name[4-(4-chlorophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C22H17ClF3N3O/c1-13-27-19-10-11-29(21(30)15-2-6-16(7-3-15)22(24,25)26)12-18(19)20(28-13)14-4-8-17(23)9-5-14/h2-9H,10-12H2,1H3
InChIKeyCUAXMQOOXRMQDK-UHFFFAOYSA-N
XLogP5.32
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.85
LogP ≤ 55.32
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-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(4-chlorophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 134791907) is [4-(4-chlorophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone is Cc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of [4-(4-chlorophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is CUAXMQOOXRMQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N3O/c1-13-27-19-10-11-29(21(30)15-2-6-16(7-3-15)22(24,25)26)12-18(19)20(28-13)14-4-8-17(23)9-5-14/h2-9H,10-12H2,1H3.
What are the key properties of [4-(4-chlorophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-(4-chlorophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 431.85 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 134791907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).