4-[3-(4-fluorophenoxy)azetidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C17H17FN4O2 — CID 171387852

IUPAC4-[3-(4-fluorophenoxy)azetidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCc1nc2c(c(N3CC(Oc4ccc(F)cc4)C3)n1)CCNC2=O
InChIInChI=1S/C17H17FN4O2/c1-10-20-15-14(6-7-19-17(15)23)16(21-10)22-8-13(9-22)24-12-4-2-11(18)3-5-12/h2-5,13H,6-9H2,1H3,(H,19,23)
InChIKeyLCCCKJNJCDQNBL-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.48
Rot. Bonds3

About 4-[3-(4-fluorophenoxy)azetidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

4-[3-(4-fluorophenoxy)azetidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171387852) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 4-[3-(4-fluorophenoxy)azetidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name4-[3-(4-fluorophenoxy)azetidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171387852
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name4-[3-(4-fluorophenoxy)azetidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCc1nc2c(c(N3CC(Oc4ccc(F)cc4)C3)n1)CCNC2=O
InChIInChI=1S/C17H17FN4O2/c1-10-20-15-14(6-7-19-17(15)23)16(21-10)22-8-13(9-22)24-12-4-2-11(18)3-5-12/h2-5,13H,6-9H2,1H3,(H,19,23)
InChIKeyLCCCKJNJCDQNBL-UHFFFAOYSA-N
XLogP1.48
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-2-(2-methylpropyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386862
4-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388187
2-methyl-4-(3-morpholin-4-ylazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388215
4-[3-(2-fluorophenoxy)azetidin-1-yl]-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56885009
2-propan-2-yl-4-(4-pyridin-4-yloxypiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171385987
5-ethyl-4-[3-(4-fluorophenoxy)azetidin-1-yl]-6-methylpyrimidin-2-amine
CID 72851199
4-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388176
2-cyclopropyl-4-(3-hydroxyazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387613
2-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387199
2-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129278072
2-methyl-4-(3-pyridin-4-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazoline
CID 133472466
4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 133345860

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenoxy)azetidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 4-[3-(4-fluorophenoxy)azetidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171387852) is 4-[3-(4-fluorophenoxy)azetidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 4-[3-(4-fluorophenoxy)azetidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 4-[3-(4-fluorophenoxy)azetidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is Cc1nc2c(c(N3CC(Oc4ccc(F)cc4)C3)n1)CCNC2=O.
What is the InChIKey of 4-[3-(4-fluorophenoxy)azetidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is LCCCKJNJCDQNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-10-20-15-14(6-7-19-17(15)23)16(21-10)22-8-13(9-22)24-12-4-2-11(18)3-5-12/h2-5,13H,6-9H2,1H3,(H,19,23).
What are the key properties of 4-[3-(4-fluorophenoxy)azetidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
4-[3-(4-fluorophenoxy)azetidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 328.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenoxy)azetidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171387852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).