4-[(2R)-2-(hydroxymethyl)azetidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

C19H17F3N4O2 — CID 152547119

IUPAC4-[(2R)-2-(hydroxymethyl)azetidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccccc1-n1c(=O)nc(N2CC[C@@H]2CO)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C19H17F3N4O2/c1-11-4-2-3-5-14(11)26-17-13(6-7-15(23-17)19(20,21)22)16(24-18(26)28)25-9-8-12(25)10-27/h2-7,12,27H,8-10H2,1H3/t12-/m1/s1
InChIKeyYMSGSIJEMXISIH-GFCCVEGCSA-N
MW390.37 g/mol
LogP2.68
Rot. Bonds3

About 4-[(2R)-2-(hydroxymethyl)azetidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

4-[(2R)-2-(hydroxymethyl)azetidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 152547119) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-[(2R)-2-(hydroxymethyl)azetidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-(hydroxymethyl)azetidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID152547119
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name4-[(2R)-2-(hydroxymethyl)azetidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccccc1-n1c(=O)nc(N2CC[C@@H]2CO)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C19H17F3N4O2/c1-11-4-2-3-5-14(11)26-17-13(6-7-15(23-17)19(20,21)22)16(24-18(26)28)25-9-8-12(25)10-27/h2-7,12,27H,8-10H2,1H3/t12-/m1/s1
InChIKeyYMSGSIJEMXISIH-GFCCVEGCSA-N
XLogP2.68
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(pyrrolidin-1-yl)-1-(o-tolyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 150330776
4-(((1S,2R)-2-fluorocyclopropyl)amino)-1-(o-tolyl)-7-(trifluoromethyl)pyrido-[2,3-d]pyrimidin-2(1H)-one
CID 153608385
4-((2R)-2-methylpyrrolidin-1-yl)-1-phenyl-7-(trifluoromethyl)pyrido[2,3-d]-pyrimidin-2(1H)-one
CID 153608413
(S)-3-(4-(3-hydroxypyrrolidin-1-yl)-2-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-1(2H)-yl)benzonitrile
CID 153608491
4-(methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 153608569
4-(3-hydroxyazetidinyl)-1-(2-methyl-phenyl)-7-(trifluoromethyppyrido[2,3-d]pyrimidin-2(1H)-one
CID 153608595
(R)-4-(3-hydroxypyrrolidin-1-yl)-1-phenyl-7-(trifluoromethyl)pyrido[2,3-d]-pyrimidin-2(1H)-one
CID 153608617
3-(4-(3-hydroxyazetidin-1-yl)-2-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-1(2H)-yl)benzonitrile
CID 153608665
4-[(2S)-2-methylpyrrolidin-1-yl]-1-phenyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 153608667
(R)-4-(2-(hydroxymethyl)pyrrolidin-1-yl)-1-(o-tolyl)-7-(trifluoromethyl)pyrido-[2,3-d]pyrimidin-2(1H)-one
CID 153608740
4-amino-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 153608837
(R)-4-(3-(hydroxymethyl)pyrrolidin-1-yl)-1-(o-tolyl)-7-(trifluoromethyl)-pyrido[2,3-d]pyrimidin-2(1H)-one
CID 153608841

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(hydroxymethyl)azetidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-[(2R)-2-(hydroxymethyl)azetidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (CID 152547119) is 4-[(2R)-2-(hydroxymethyl)azetidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-[(2R)-2-(hydroxymethyl)azetidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-[(2R)-2-(hydroxymethyl)azetidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is Cc1ccccc1-n1c(=O)nc(N2CC[C@@H]2CO)c2ccc(C(F)(F)F)nc21.
What is the InChIKey of 4-[(2R)-2-(hydroxymethyl)azetidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is YMSGSIJEMXISIH-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-11-4-2-3-5-14(11)26-17-13(6-7-15(23-17)19(20,21)22)16(24-18(26)28)25-9-8-12(25)10-27/h2-7,12,27H,8-10H2,1H3/t12-/m1/s1.
What are the key properties of 4-[(2R)-2-(hydroxymethyl)azetidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
4-[(2R)-2-(hydroxymethyl)azetidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 390.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(hydroxymethyl)azetidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 152547119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).