3-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2,7-dihydropyrazolo[3,4-b]pyridin-6-one

C19H19FN4O2 — CID 171920654

IUPAC3-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESO=C(Cc1ccc(F)cc1)N1CCC[C@H](c2[nH]nc3[nH]c(=O)ccc23)C1
InChIInChI=1S/C19H19FN4O2/c20-14-5-3-12(4-6-14)10-17(26)24-9-1-2-13(11-24)18-15-7-8-16(25)21-19(15)23-22-18/h3-8,13H,1-2,9-11H2,(H2,21,22,23,25)/t13-/m0/s1
InChIKeyJKWFFWGCDOMXTH-ZDUSSCGKSA-N
MW354.38 g/mol
LogP2.34
Rot. Bonds3

About 3-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2,7-dihydropyrazolo[3,4-b]pyridin-6-one

3-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2,7-dihydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 171920654) has the molecular formula C19H19FN4O2 and a molecular weight of 354.38 g/mol. Its IUPAC name is 3-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2,7-dihydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
PubChem CID171920654
Molecular FormulaC19H19FN4O2
Molecular Weight354.38 g/mol
Exact Mass354.15
IUPAC Name3-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
SMILESO=C(Cc1ccc(F)cc1)N1CCC[C@H](c2[nH]nc3[nH]c(=O)ccc23)C1
InChIInChI=1S/C19H19FN4O2/c20-14-5-3-12(4-6-14)10-17(26)24-9-1-2-13(11-24)18-15-7-8-16(25)21-19(15)23-22-18/h3-8,13H,1-2,9-11H2,(H2,21,22,23,25)/t13-/m0/s1
InChIKeyJKWFFWGCDOMXTH-ZDUSSCGKSA-N
XLogP2.34
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2,7-dihydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2,7-dihydropyrazolo[3,4-b]pyridin-6-one (CID 171920654) is 3-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2,7-dihydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2,7-dihydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2,7-dihydropyrazolo[3,4-b]pyridin-6-one is O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2[nH]nc3[nH]c(=O)ccc23)C1.
What is the InChIKey of 3-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2,7-dihydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is JKWFFWGCDOMXTH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-14-5-3-12(4-6-14)10-17(26)24-9-1-2-13(11-24)18-15-7-8-16(25)21-19(15)23-22-18/h3-8,13H,1-2,9-11H2,(H2,21,22,23,25)/t13-/m0/s1.
What are the key properties of 3-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2,7-dihydropyrazolo[3,4-b]pyridin-6-one?
3-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2,7-dihydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 354.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2,7-dihydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 171920654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).