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

C23H18FN5O — CID 57379610

IUPAC4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(pyridin-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCn1cc(-c2ccnc3c2C(=O)N(Cc2cccnc2)C3)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H18FN5O/c1-28-13-19(22(27-28)16-4-6-17(24)7-5-16)18-8-10-26-20-14-29(23(30)21(18)20)12-15-3-2-9-25-11-15/h2-11,13H,12,14H2,1H3
InChIKeyQMYMODQJZUCBDM-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.84
Rot. Bonds4

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

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(pyridin-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 57379610) has the molecular formula C23H18FN5O and a molecular weight of 399.43 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(pyridin-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(pyridin-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID57379610
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(pyridin-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCn1cc(-c2ccnc3c2C(=O)N(Cc2cccnc2)C3)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H18FN5O/c1-28-13-19(22(27-28)16-4-6-17(24)7-5-16)18-8-10-26-20-14-29(23(30)21(18)20)12-15-3-2-9-25-11-15/h2-11,13H,12,14H2,1H3
InChIKeyQMYMODQJZUCBDM-UHFFFAOYSA-N
XLogP3.84
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(pyridin-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(pyridin-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 57379610) is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(pyridin-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(pyridin-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(pyridin-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is Cn1cc(-c2ccnc3c2C(=O)N(Cc2cccnc2)C3)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(pyridin-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is QMYMODQJZUCBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O/c1-28-13-19(22(27-28)16-4-6-17(24)7-5-16)18-8-10-26-20-14-29(23(30)21(18)20)12-15-3-2-9-25-11-15/h2-11,13H,12,14H2,1H3.
What are the key properties of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(pyridin-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(pyridin-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 399.43 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(pyridin-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 57379610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).