(7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C18H16FN5O2 — CID 122190403

IUPAC(7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1CN(c2ccccn2)C(=O)c2cc(COc3ccc(F)cn3)nn21
InChIInChI=1S/C18H16FN5O2/c1-12-10-23(16-4-2-3-7-20-16)18(25)15-8-14(22-24(12)15)11-26-17-6-5-13(19)9-21-17/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeySCQPJPDAYDVHLT-GFCCVEGCSA-N
MW353.36 g/mol
LogP2.61
Rot. Bonds4

About (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 122190403) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID122190403
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name(7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1CN(c2ccccn2)C(=O)c2cc(COc3ccc(F)cn3)nn21
InChIInChI=1S/C18H16FN5O2/c1-12-10-23(16-4-2-3-7-20-16)18(25)15-8-14(22-24(12)15)11-26-17-6-5-13(19)9-21-17/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeySCQPJPDAYDVHLT-GFCCVEGCSA-N
XLogP2.61
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 122190403) is (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@@H]1CN(c2ccccn2)C(=O)c2cc(COc3ccc(F)cn3)nn21.
What is the InChIKey of (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is SCQPJPDAYDVHLT-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-12-10-23(16-4-2-3-7-20-16)18(25)15-8-14(22-24(12)15)11-26-17-6-5-13(19)9-21-17/h2-9,12H,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 353.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 122190403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).