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

C19H16ClFN4O2 — CID 122190337

IUPAC(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21
InChIInChI=1S/C19H16ClFN4O2/c1-12-10-24(16-5-3-14(21)4-6-16)19(26)17-8-15(23-25(12)17)11-27-18-7-2-13(20)9-22-18/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyIBASTFUEMNZDNE-GFCCVEGCSA-N
MW386.81 g/mol
LogP3.87
Rot. Bonds4

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

(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 122190337) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID122190337
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21
InChIInChI=1S/C19H16ClFN4O2/c1-12-10-24(16-5-3-14(21)4-6-16)19(26)17-8-15(23-25(12)17)11-27-18-7-2-13(20)9-22-18/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyIBASTFUEMNZDNE-GFCCVEGCSA-N
XLogP3.87
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 122190337) is (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21.
What is the InChIKey of (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is IBASTFUEMNZDNE-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-12-10-24(16-5-3-14(21)4-6-16)19(26)17-8-15(23-25(12)17)11-27-18-7-2-13(20)9-22-18/h2-9,12H,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 386.81 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 122190337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).