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

C20H19ClN4O3 — CID 122190415

IUPAC(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-methoxyphenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O
InChIInChI=1S/C20H19ClN4O3/c1-13-11-24(16-5-3-4-6-18(16)27-2)20(26)17-9-15(23-25(13)17)12-28-19-8-7-14(21)10-22-19/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyIOPFZRYSJBAJKW-CYBMUJFWSA-N
MW398.85 g/mol
LogP3.74
Rot. Bonds5

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

(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-methoxyphenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 122190415) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-methoxyphenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-methoxyphenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID122190415
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-methoxyphenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O
InChIInChI=1S/C20H19ClN4O3/c1-13-11-24(16-5-3-4-6-18(16)27-2)20(26)17-9-15(23-25(13)17)12-28-19-8-7-14(21)10-22-19/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyIOPFZRYSJBAJKW-CYBMUJFWSA-N
XLogP3.74
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-methoxyphenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-methoxyphenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 122190415) is (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-methoxyphenyl)-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-(2-methoxyphenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-methoxyphenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O.
What is the InChIKey of (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-methoxyphenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is IOPFZRYSJBAJKW-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-13-11-24(16-5-3-4-6-18(16)27-2)20(26)17-9-15(23-25(13)17)12-28-19-8-7-14(21)10-22-19/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-methoxyphenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-methoxyphenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 398.85 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-methoxyphenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 122190415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).