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

C18H15ClFN5O2 — CID 122190433

IUPAC(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1CN(c2cccnc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21
InChIInChI=1S/C18H15ClFN5O2/c1-11-9-24(14-3-2-6-21-17(14)20)18(26)15-7-13(23-25(11)15)10-27-16-5-4-12(19)8-22-16/h2-8,11H,9-10H2,1H3/t11-/m1/s1
InChIKeyRXRVCJFGSOVYLG-LLVKDONJSA-N
MW387.80 g/mol
LogP3.27
Rot. Bonds4

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

(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 122190433) has the molecular formula C18H15ClFN5O2 and a molecular weight of 387.80 g/mol. Its IUPAC name is (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID122190433
Molecular FormulaC18H15ClFN5O2
Molecular Weight387.80 g/mol
Exact Mass387.09
IUPAC Name(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1CN(c2cccnc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21
InChIInChI=1S/C18H15ClFN5O2/c1-11-9-24(14-3-2-6-21-17(14)20)18(26)15-7-13(23-25(11)15)10-27-16-5-4-12(19)8-22-16/h2-8,11H,9-10H2,1H3/t11-/m1/s1
InChIKeyRXRVCJFGSOVYLG-LLVKDONJSA-N
XLogP3.27
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 122190433) is (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-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-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@@H]1CN(c2cccnc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21.
What is the InChIKey of (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is RXRVCJFGSOVYLG-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15ClFN5O2/c1-11-9-24(14-3-2-6-21-17(14)20)18(26)15-7-13(23-25(11)15)10-27-16-5-4-12(19)8-22-16/h2-8,11H,9-10H2,1H3/t11-/m1/s1.
What are the key properties of (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-5-(2-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 387.80 g/mol, XLogP of 3.27, 4 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-fluoro-3-pyridinyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 122190433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).