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

C22H18F3N3O2 — CID 137299110

IUPAC[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C22H18F3N3O2/c1-13-26-19-10-11-28(21(30)15-2-6-16(7-3-15)22(23,24)25)12-18(19)20(27-13)14-4-8-17(29)9-5-14/h2-9,29H,10-12H2,1H3
InChIKeyLDTZRUDQKMBYDR-UHFFFAOYSA-N
MW413.40 g/mol
LogP4.37
Rot. Bonds2

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

[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 137299110) has the molecular formula C22H18F3N3O2 and a molecular weight of 413.40 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID137299110
Molecular FormulaC22H18F3N3O2
Molecular Weight413.40 g/mol
Exact Mass413.14
IUPAC Name[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C22H18F3N3O2/c1-13-26-19-10-11-28(21(30)15-2-6-16(7-3-15)22(23,24)25)12-18(19)20(27-13)14-4-8-17(29)9-5-14/h2-9,29H,10-12H2,1H3
InChIKeyLDTZRUDQKMBYDR-UHFFFAOYSA-N
XLogP4.37
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 137299110) is [4-(4-hydroxyphenyl)-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-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone is Cc1nc2c(c(-c3ccc(O)cc3)n1)CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of [4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is LDTZRUDQKMBYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O2/c1-13-26-19-10-11-28(21(30)15-2-6-16(7-3-15)22(23,24)25)12-18(19)20(27-13)14-4-8-17(29)9-5-14/h2-9,29H,10-12H2,1H3.
What are the key properties of [4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 413.40 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 137299110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).