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

C18H16ClN5O2 — CID 122190427

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

(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 122190427) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 122190427
• Molecular Formula: C18H16ClN5O2
• Molecular Weight: 369.81 g/mol
• Exact Mass: 369.10
• IUPAC Name: (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: C[C@@H]1CN(c2ccccn2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21
• InChI: InChI=1S/C18H16ClN5O2/c1-12-10-23(16-4-2-3-7-20-16)18(25)15-8-14(22-24(12)15)11-26-17-6-5-13(19)9-21-17/h2-9,12H,10-11H2,1H3/t12-/m1/s1
• InChIKey: XMCQBEJBDBCTHO-GFCCVEGCSA-N
• XLogP: 3.13
• TPSA: 73.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.81
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 122190427) is (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@@H]1CN(c2ccccn2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21.

What is the InChIKey of (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is XMCQBEJBDBCTHO-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-12-10-23(16-4-2-3-7-20-16)18(25)15-8-14(22-24(12)15)11-26-17-6-5-13(19)9-21-17/h2-9,12H,10-11H2,1H3/t12-/m1/s1.

What are the key properties of (7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

(7R)-2-[(5-chloro-2-pyridinyl)oxymethyl]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 369.81 g/mol, XLogP of 3.13, 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]-7-methyl-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 122190427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).