(7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H19FN4O2 — CID 122190395

IUPAC(7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)c1
InChIInChI=1S/C20H19FN4O2/c1-13-4-3-5-17(8-13)24-11-14(2)25-18(20(24)26)9-16(23-25)12-27-19-7-6-15(21)10-22-19/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1
InChIKeyFKKBESIUKQKYJF-CQSZACIVSA-N
MW366.40 g/mol
LogP3.53
Rot. Bonds4

About (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 122190395) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID122190395
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name(7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)c1
InChIInChI=1S/C20H19FN4O2/c1-13-4-3-5-17(8-13)24-11-14(2)25-18(20(24)26)9-16(23-25)12-27-19-7-6-15(21)10-22-19/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1
InChIKeyFKKBESIUKQKYJF-CQSZACIVSA-N
XLogP3.53
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 122190395) is (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-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-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1cccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)c1.
What is the InChIKey of (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is FKKBESIUKQKYJF-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-13-4-3-5-17(8-13)24-11-14(2)25-18(20(24)26)9-16(23-25)12-27-19-7-6-15(21)10-22-19/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 366.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 122190395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).