6-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C21H19ClN6O2 — CID 137268735

About 6-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137268735) has the molecular formula C21H19ClN6O2 and a molecular weight of 422.88 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 137268735
• Molecular Formula: C21H19ClN6O2
• Molecular Weight: 422.88 g/mol
• Exact Mass: 422.13
• IUPAC Name: 6-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: O=c1[nH]c(N2CCCC(Oc3ccc(Cl)cn3)C2)nc2c1cnn2-c1ccccc1
• InChI: InChI=1S/C21H19ClN6O2/c22-14-8-9-18(23-11-14)30-16-7-4-10-27(13-16)21-25-19-17(20(29)26-21)12-24-28(19)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,16H,4,7,10,13H2,(H,25,26,29)
• InChIKey: OFGYKMPMPKQCLH-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 88.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.88
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 6-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137268735) is 6-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 6-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 6-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(N2CCCC(Oc3ccc(Cl)cn3)C2)nc2c1cnn2-c1ccccc1.

What is the InChIKey of 6-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is OFGYKMPMPKQCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O2/c22-14-8-9-18(23-11-14)30-16-7-4-10-27(13-16)21-25-19-17(20(29)26-21)12-24-28(19)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,16H,4,7,10,13H2,(H,25,26,29).

What are the key properties of 6-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?

6-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 422.88 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137268735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).