3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-4-one

C16H14FN3O3 — CID 31076436

IUPAC3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1C[C@H](O)COc1ccc(F)cc1
InChIInChI=1S/C16H14FN3O3/c17-11-3-5-13(6-4-11)23-9-12(21)8-20-10-19-15-14(16(20)22)2-1-7-18-15/h1-7,10,12,21H,8-9H2/t12-/m0/s1
InChIKeyUCKNUKXWNMIODF-LBPRGKRZSA-N
MW315.30 g/mol
LogP1.37
Rot. Bonds5

About 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-4-one

3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 31076436) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID31076436
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1C[C@H](O)COc1ccc(F)cc1
InChIInChI=1S/C16H14FN3O3/c17-11-3-5-13(6-4-11)23-9-12(21)8-20-10-19-15-14(16(20)22)2-1-7-18-15/h1-7,10,12,21H,8-9H2/t12-/m0/s1
InChIKeyUCKNUKXWNMIODF-LBPRGKRZSA-N
XLogP1.37
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-fluoro-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 17465079
3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 31077311
3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 24562552
3-[(2S)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrido[2,3-d]pyrimidin-4-one
CID 94797377
3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one
CID 41176342
5-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 30686366
1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411608
3-[2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]quinazolin-4-one
CID 51283428
3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one
CID 17403996
3-(2-hydroxy-3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidin-4-one;oxalic acid
CID 24844978
3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one
CID 42933957
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-4-one (CID 31076436) is 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-4-one is O=c1c2cccnc2ncn1C[C@H](O)COc1ccc(F)cc1.
What is the InChIKey of 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is UCKNUKXWNMIODF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H14FN3O3/c17-11-3-5-13(6-4-11)23-9-12(21)8-20-10-19-15-14(16(20)22)2-1-7-18-15/h1-7,10,12,21H,8-9H2/t12-/m0/s1.
What are the key properties of 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-4-one?
3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 315.30 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 31076436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).