6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C24H19F4N5O — CID 135916382

IUPAC6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CN(Cc1ncc(-c3ccc(F)cc3)[nH]1)CC2
InChIInChI=1S/C24H19F4N5O/c25-17-7-3-14(4-8-17)20-11-29-21(30-20)13-33-10-9-19-18(12-33)23(34)32-22(31-19)15-1-5-16(6-2-15)24(26,27)28/h1-8,11H,9-10,12-13H2,(H,29,30)(H,31,32,34)
InChIKeyIALBBWZSHPFRQN-UHFFFAOYSA-N
MW469.44 g/mol
LogP4.54
Rot. Bonds4

About 6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135916382) has the molecular formula C24H19F4N5O and a molecular weight of 469.44 g/mol. Its IUPAC name is 6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135916382
Molecular FormulaC24H19F4N5O
Molecular Weight469.44 g/mol
Exact Mass469.15
IUPAC Name6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CN(Cc1ncc(-c3ccc(F)cc3)[nH]1)CC2
InChIInChI=1S/C24H19F4N5O/c25-17-7-3-14(4-8-17)20-11-29-21(30-20)13-33-10-9-19-18(12-33)23(34)32-22(31-19)15-1-5-16(6-2-15)24(26,27)28/h1-8,11H,9-10,12-13H2,(H,29,30)(H,31,32,34)
InChIKeyIALBBWZSHPFRQN-UHFFFAOYSA-N
XLogP4.54
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.44
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-fluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919816
2-[4-(trifluoromethyl)phenyl]-6-[[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945434
6-(1,3-thiazol-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862326
2-cyclopropyl-6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916380
2-[4-(trifluoromethyl)phenyl]-6-[(2,3,4-trifluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916522
2-(4-aminophenyl)-6-[[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945433
6-(quinolin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861289
6-[(2-fluoro-4-methyl-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916302
6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945214
6-[(5-bromofuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862406
2-[[4-oxo-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile
CID 135917662
2-(4-chlorophenyl)-6-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917904

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135916382) is 6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CN(Cc1ncc(-c3ccc(F)cc3)[nH]1)CC2.
What is the InChIKey of 6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is IALBBWZSHPFRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O/c25-17-7-3-14(4-8-17)20-11-29-21(30-20)13-33-10-9-19-18(12-33)23(34)32-22(31-19)15-1-5-16(6-2-15)24(26,27)28/h1-8,11H,9-10,12-13H2,(H,29,30)(H,31,32,34).
What are the key properties of 6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 469.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135916382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).