(3R)-4-[(4-fluorophenyl)methyl]-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one

C19H22FN5O2 — CID 95717131

IUPAC(3R)-4-[(4-fluorophenyl)methyl]-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one
SMILESO=C1NCCN(Cc2ccc(F)cc2)[C@@H]1CC(=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C19H22FN5O2/c20-15-3-1-13(2-4-15)11-24-8-6-21-19(27)17(24)9-18(26)25-7-5-16-14(12-25)10-22-23-16/h1-4,10,17H,5-9,11-12H2,(H,21,27)(H,22,23)/t17-/m1/s1
InChIKeyFVCADVVBEMCVLI-QGZVFWFLSA-N
MW371.42 g/mol
LogP0.82
Rot. Bonds4

About (3R)-4-[(4-fluorophenyl)methyl]-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one

(3R)-4-[(4-fluorophenyl)methyl]-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one (PubChem CID 95717131) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is (3R)-4-[(4-fluorophenyl)methyl]-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[(4-fluorophenyl)methyl]-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one
PubChem CID95717131
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name(3R)-4-[(4-fluorophenyl)methyl]-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one
SMILESO=C1NCCN(Cc2ccc(F)cc2)[C@@H]1CC(=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C19H22FN5O2/c20-15-3-1-13(2-4-15)11-24-8-6-21-19(27)17(24)9-18(26)25-7-5-16-14(12-25)10-22-23-16/h1-4,10,17H,5-9,11-12H2,(H,21,27)(H,22,23)/t17-/m1/s1
InChIKeyFVCADVVBEMCVLI-QGZVFWFLSA-N
XLogP0.82
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(4-fluorophenyl)methyl]-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one?
The IUPAC name of (3R)-4-[(4-fluorophenyl)methyl]-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one (CID 95717131) is (3R)-4-[(4-fluorophenyl)methyl]-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one.
What is the SMILES notation for (3R)-4-[(4-fluorophenyl)methyl]-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one?
The canonical SMILES for (3R)-4-[(4-fluorophenyl)methyl]-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one is O=C1NCCN(Cc2ccc(F)cc2)[C@@H]1CC(=O)N1CCc2[nH]ncc2C1.
What is the InChIKey of (3R)-4-[(4-fluorophenyl)methyl]-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one?
The InChIKey is FVCADVVBEMCVLI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22FN5O2/c20-15-3-1-13(2-4-15)11-24-8-6-21-19(27)17(24)9-18(26)25-7-5-16-14(12-25)10-22-23-16/h1-4,10,17H,5-9,11-12H2,(H,21,27)(H,22,23)/t17-/m1/s1.
What are the key properties of (3R)-4-[(4-fluorophenyl)methyl]-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one?
(3R)-4-[(4-fluorophenyl)methyl]-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one has a molecular weight of 371.42 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(4-fluorophenyl)methyl]-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 95717131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).