(5S)-4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C8H5BrF3N3O — CID 178042663

IUPAC(5S)-4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1C[C@H](C(F)(F)F)c2c(Br)ncnc2N1
InChIInChI=1S/C8H5BrF3N3O/c9-6-5-3(8(10,11)12)1-4(16)15-7(5)14-2-13-6/h2-3H,1H2,(H,13,14,15,16)/t3-/m0/s1
InChIKeyXPEKDMRSRGTSOE-VKHMYHEASA-N
MW296.05 g/mol
LogP2.23
Rot. Bonds

About (5S)-4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

(5S)-4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 178042663) has the molecular formula C8H5BrF3N3O and a molecular weight of 296.05 g/mol. Its IUPAC name is (5S)-4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name(5S)-4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID178042663
Molecular FormulaC8H5BrF3N3O
Molecular Weight296.05 g/mol
Exact Mass294.96
IUPAC Name(5S)-4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1C[C@H](C(F)(F)F)c2c(Br)ncnc2N1
InChIInChI=1S/C8H5BrF3N3O/c9-6-5-3(8(10,11)12)1-4(16)15-7(5)14-2-13-6/h2-3H,1H2,(H,13,14,15,16)/t3-/m0/s1
InChIKeyXPEKDMRSRGTSOE-VKHMYHEASA-N
XLogP2.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.05
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-cyclopropylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 67954905
4-[4-[4-propyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 77440681
4-[4-[4-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 77440668
(5R)-4-[4-[4-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 67968751
(5R)-4-[8-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 164762129
(5R)-4-[3-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 155038054
1-ethyl-4-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135783975
(5S)-5-(1,1-difluoroethyl)-4-[1-[(3R,4S)-3-fluoropiperidin-4-yl]indazol-3-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 178042702
5-[4-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 175695029
(4S)-5-chloro-4-(1,1-difluoroethyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 178041724
(4R)-5-chloro-4-(1,1-difluoroethyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
CID 178042129
4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 56598551

Frequently Asked Questions

What is the IUPAC name of (5S)-4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of (5S)-4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 178042663) is (5S)-4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for (5S)-4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for (5S)-4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is O=C1C[C@H](C(F)(F)F)c2c(Br)ncnc2N1.
What is the InChIKey of (5S)-4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XPEKDMRSRGTSOE-VKHMYHEASA-N. The full InChI is InChI=1S/C8H5BrF3N3O/c9-6-5-3(8(10,11)12)1-4(16)15-7(5)14-2-13-6/h2-3H,1H2,(H,13,14,15,16)/t3-/m0/s1.
What are the key properties of (5S)-4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
(5S)-4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 296.05 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-bromo-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 178042663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).