[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone

C25H23FN4O2 — CID 24575624

IUPAC[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)CCO1
InChIInChI=1S/C25H23FN4O2/c1-17-15-29(10-11-32-17)25(31)21-13-23(19-7-3-2-4-8-19)28-24-22(21)14-27-30(24)16-18-6-5-9-20(26)12-18/h2-9,12-14,17H,10-11,15-16H2,1H3
InChIKeyAHRIGGRDPAGLCG-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.15
Rot. Bonds4

About [1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone

[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone (PubChem CID 24575624) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is [1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone
PubChem CID24575624
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)CCO1
InChIInChI=1S/C25H23FN4O2/c1-17-15-29(10-11-32-17)25(31)21-13-23(19-7-3-2-4-8-19)28-24-22(21)14-27-30(24)16-18-6-5-9-20(26)12-18/h2-9,12-14,17H,10-11,15-16H2,1H3
InChIKeyAHRIGGRDPAGLCG-UHFFFAOYSA-N
XLogP4.15
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of [1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone (CID 24575624) is [1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for [1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)CCO1.
What is the InChIKey of [1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone?
The InChIKey is AHRIGGRDPAGLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-17-15-29(10-11-32-17)25(31)21-13-23(19-7-3-2-4-8-19)28-24-22(21)14-27-30(24)16-18-6-5-9-20(26)12-18/h2-9,12-14,17H,10-11,15-16H2,1H3.
What are the key properties of [1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone?
[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone has a molecular weight of 430.48 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 24575624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).