4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C17H13FN4O — CID 57382334

IUPAC4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCn1cc(-c2ccnc3c2C(=O)NC3)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H13FN4O/c1-22-9-13(16(21-22)10-2-4-11(18)5-3-10)12-6-7-19-14-8-20-17(23)15(12)14/h2-7,9H,8H2,1H3,(H,20,23)
InChIKeyMKTSLGTZIKIVQO-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.53
Rot. Bonds2

About 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 57382334) has the molecular formula C17H13FN4O and a molecular weight of 308.32 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID57382334
Molecular FormulaC17H13FN4O
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCn1cc(-c2ccnc3c2C(=O)NC3)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H13FN4O/c1-22-9-13(16(21-22)10-2-4-11(18)5-3-10)12-6-7-19-14-8-20-17(23)15(12)14/h2-7,9H,8H2,1H3,(H,20,23)
InChIKeyMKTSLGTZIKIVQO-UHFFFAOYSA-N
XLogP2.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 57382334) is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is Cn1cc(-c2ccnc3c2C(=O)NC3)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is MKTSLGTZIKIVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O/c1-22-9-13(16(21-22)10-2-4-11(18)5-3-10)12-6-7-19-14-8-20-17(23)15(12)14/h2-7,9H,8H2,1H3,(H,20,23).
What are the key properties of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 308.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 57382334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).