2-[2-[(4-fluorophenoxy)methyl]-5-methoxypyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C19H17FN4O3 — CID 71462888

IUPAC2-[2-[(4-fluorophenoxy)methyl]-5-methoxypyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1cnc(COc2ccc(F)cc2)nc1-c1cc2c([nH]1)CCNC2=O
InChIInChI=1S/C19H17FN4O3/c1-26-16-9-22-17(10-27-12-4-2-11(20)3-5-12)24-18(16)15-8-13-14(23-15)6-7-21-19(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25)
InChIKeyVGNSQEJXQARLLC-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.48
Rot. Bonds5

About 2-[2-[(4-fluorophenoxy)methyl]-5-methoxypyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-[2-[(4-fluorophenoxy)methyl]-5-methoxypyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 71462888) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenoxy)methyl]-5-methoxypyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-[(4-fluorophenoxy)methyl]-5-methoxypyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID71462888
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name2-[2-[(4-fluorophenoxy)methyl]-5-methoxypyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1cnc(COc2ccc(F)cc2)nc1-c1cc2c([nH]1)CCNC2=O
InChIInChI=1S/C19H17FN4O3/c1-26-16-9-22-17(10-27-12-4-2-11(20)3-5-12)24-18(16)15-8-13-14(23-15)6-7-21-19(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25)
InChIKeyVGNSQEJXQARLLC-UHFFFAOYSA-N
XLogP2.48
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenoxy)methyl]-5-methoxypyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[2-[(4-fluorophenoxy)methyl]-5-methoxypyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 71462888) is 2-[2-[(4-fluorophenoxy)methyl]-5-methoxypyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[2-[(4-fluorophenoxy)methyl]-5-methoxypyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[2-[(4-fluorophenoxy)methyl]-5-methoxypyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is COc1cnc(COc2ccc(F)cc2)nc1-c1cc2c([nH]1)CCNC2=O.
What is the InChIKey of 2-[2-[(4-fluorophenoxy)methyl]-5-methoxypyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is VGNSQEJXQARLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-26-16-9-22-17(10-27-12-4-2-11(20)3-5-12)24-18(16)15-8-13-14(23-15)6-7-21-19(13)25/h2-5,8-9,23H,6-7,10H2,1H3,(H,21,25).
What are the key properties of 2-[2-[(4-fluorophenoxy)methyl]-5-methoxypyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[2-[(4-fluorophenoxy)methyl]-5-methoxypyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 368.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenoxy)methyl]-5-methoxypyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 71462888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).