2-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]isoindole-1,3-dione

C25H16FN7O2 — CID 10139773

IUPAC2-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]isoindole-1,3-dione
SMILESNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H16FN7O2/c26-18-10-4-1-6-14(18)13-32-23-17(9-5-11-28-23)20(31-32)22-29-12-19(21(27)30-22)33-24(34)15-7-2-3-8-16(15)25(33)35/h1-12H,13H2,(H2,27,29,30)
InChIKeyFOIXBUPLRDVRPD-UHFFFAOYSA-N
MW465.45 g/mol
LogP3.46
Rot. Bonds4

About 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]isoindole-1,3-dione

2-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]isoindole-1,3-dione (PubChem CID 10139773) has the molecular formula C25H16FN7O2 and a molecular weight of 465.45 g/mol. Its IUPAC name is 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]isoindole-1,3-dione
PubChem CID10139773
Molecular FormulaC25H16FN7O2
Molecular Weight465.45 g/mol
Exact Mass465.13
IUPAC Name2-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]isoindole-1,3-dione
SMILESNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H16FN7O2/c26-18-10-4-1-6-14(18)13-32-23-17(9-5-11-28-23)20(31-32)22-29-12-19(21(27)30-22)33-24(34)15-7-2-3-8-16(15)25(33)35/h1-12H,13H2,(H2,27,29,30)
InChIKeyFOIXBUPLRDVRPD-UHFFFAOYSA-N
XLogP3.46
TPSA119.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]isoindole-1,3-dione?
The IUPAC name of 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]isoindole-1,3-dione (CID 10139773) is 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]isoindole-1,3-dione is Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]isoindole-1,3-dione?
The InChIKey is FOIXBUPLRDVRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FN7O2/c26-18-10-4-1-6-14(18)13-32-23-17(9-5-11-28-23)20(31-32)22-29-12-19(21(27)30-22)33-24(34)15-7-2-3-8-16(15)25(33)35/h1-12H,13H2,(H2,27,29,30).
What are the key properties of 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]isoindole-1,3-dione?
2-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]isoindole-1,3-dione has a molecular weight of 465.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]isoindole-1,3-dione is sourced from PubChem (CID 10139773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).