4-[3-[4-(trifluoromethyl)phenyl]anilino]-3H-pyrido[2,3-d]pyrimidin-2-one

C20H13F3N4O — CID 123353263

IUPAC4-[3-[4-(trifluoromethyl)phenyl]anilino]-3H-pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc2ncccc2c(Nc2cccc(-c3ccc(C(F)(F)F)cc3)c2)[nH]1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)14-8-6-12(7-9-14)13-3-1-4-15(11-13)25-18-16-5-2-10-24-17(16)26-19(28)27-18/h1-11H,(H2,24,25,26,27,28)
InChIKeyHRAIEBHJVQACGD-UHFFFAOYSA-N
MW382.35 g/mol
LogP4.75
Rot. Bonds3

About 4-[3-[4-(trifluoromethyl)phenyl]anilino]-3H-pyrido[2,3-d]pyrimidin-2-one

4-[3-[4-(trifluoromethyl)phenyl]anilino]-3H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 123353263) has the molecular formula C20H13F3N4O and a molecular weight of 382.35 g/mol. Its IUPAC name is 4-[3-[4-(trifluoromethyl)phenyl]anilino]-3H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[3-[4-(trifluoromethyl)phenyl]anilino]-3H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID123353263
Molecular FormulaC20H13F3N4O
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Name4-[3-[4-(trifluoromethyl)phenyl]anilino]-3H-pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc2ncccc2c(Nc2cccc(-c3ccc(C(F)(F)F)cc3)c2)[nH]1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)14-8-6-12(7-9-14)13-3-1-4-15(11-13)25-18-16-5-2-10-24-17(16)26-19(28)27-18/h1-11H,(H2,24,25,26,27,28)
InChIKeyHRAIEBHJVQACGD-UHFFFAOYSA-N
XLogP4.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-methoxyphenyl)anilino]-3H-pyrido[2,3-d]pyrimidin-2-one
CID 123765562
4-(3-pyridin-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one
CID 123283624
4-(4-naphthalen-2-ylanilino)-3H-pyrido[2,3-d]pyrimidin-2-one
CID 123990750
N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline
CID 142703833
6-[4-(trifluoromethyl)phenyl]pyrido[2,3-c][1,8]naphthyridine
CID 162534915
1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one
CID 154366196
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine
CID 56592732
1-(sulfinoamino)-3-[4-(trifluoromethyl)phenyl]benzene
CID 69476059
1-hydroxy-4-[4-[4-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one
CID 154326729
1,1,1,3,3,3-hexafluoro-2-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol
CID 118307643
1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine
CID 134191505
3-[4-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one
CID 22503463

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(trifluoromethyl)phenyl]anilino]-3H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-[3-[4-(trifluoromethyl)phenyl]anilino]-3H-pyrido[2,3-d]pyrimidin-2-one (CID 123353263) is 4-[3-[4-(trifluoromethyl)phenyl]anilino]-3H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-[3-[4-(trifluoromethyl)phenyl]anilino]-3H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-[3-[4-(trifluoromethyl)phenyl]anilino]-3H-pyrido[2,3-d]pyrimidin-2-one is O=c1nc2ncccc2c(Nc2cccc(-c3ccc(C(F)(F)F)cc3)c2)[nH]1.
What is the InChIKey of 4-[3-[4-(trifluoromethyl)phenyl]anilino]-3H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is HRAIEBHJVQACGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O/c21-20(22,23)14-8-6-12(7-9-14)13-3-1-4-15(11-13)25-18-16-5-2-10-24-17(16)26-19(28)27-18/h1-11H,(H2,24,25,26,27,28).
What are the key properties of 4-[3-[4-(trifluoromethyl)phenyl]anilino]-3H-pyrido[2,3-d]pyrimidin-2-one?
4-[3-[4-(trifluoromethyl)phenyl]anilino]-3H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 382.35 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(trifluoromethyl)phenyl]anilino]-3H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 123353263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).