(3-fluoro-5-methyl-2-pyridinyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

C20H18F2N4O2 — CID 71038225

About (3-fluoro-5-methyl-2-pyridinyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

(3-fluoro-5-methyl-2-pyridinyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 71038225) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is (3-fluoro-5-methyl-2-pyridinyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

• Compound Name: (3-fluoro-5-methyl-2-pyridinyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
• PubChem CID: 71038225
• Molecular Formula: C20H18F2N4O2
• Molecular Weight: 384.39 g/mol
• Exact Mass: 384.14
• IUPAC Name: (3-fluoro-5-methyl-2-pyridinyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
• SMILES: Cc1cnc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)c(F)c1
• InChI: InChI=1S/C20H18F2N4O2/c1-13-7-18(22)19(23-10-13)20(27)25-5-6-26-16(11-25)9-15(24-26)12-28-17-4-2-3-14(21)8-17/h2-4,7-10H,5-6,11-12H2,1H3
• InChIKey: PMBHAACKGYNSRK-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.39
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methyl-2-pyridinyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?

The IUPAC name of (3-fluoro-5-methyl-2-pyridinyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 71038225) is (3-fluoro-5-methyl-2-pyridinyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

What is the SMILES notation for (3-fluoro-5-methyl-2-pyridinyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?

The canonical SMILES for (3-fluoro-5-methyl-2-pyridinyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is Cc1cnc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)c(F)c1.

What is the InChIKey of (3-fluoro-5-methyl-2-pyridinyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?

The InChIKey is PMBHAACKGYNSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-13-7-18(22)19(23-10-13)20(27)25-5-6-26-16(11-25)9-15(24-26)12-28-17-4-2-3-14(21)8-17/h2-4,7-10H,5-6,11-12H2,1H3.

What are the key properties of (3-fluoro-5-methyl-2-pyridinyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?

(3-fluoro-5-methyl-2-pyridinyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 384.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3-fluoro-5-methyl-2-pyridinyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 71038225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).