[2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone

C25H21ClN6O — CID 110151815

About [2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone

[2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone (PubChem CID 110151815) has the molecular formula C25H21ClN6O and a molecular weight of 456.94 g/mol. Its IUPAC name is [2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
• PubChem CID: 110151815
• Molecular Formula: C25H21ClN6O
• Molecular Weight: 456.94 g/mol
• Exact Mass: 456.15
• IUPAC Name: [2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
• SMILES: O=C(c1cccc(-c2cncnc2)n1)N1CCCC1c1cncc(Cc2cccc(Cl)c2)n1
• InChI: InChI=1S/C25H21ClN6O/c26-19-5-1-4-17(10-19)11-20-14-27-15-23(30-20)24-8-3-9-32(24)25(33)22-7-2-6-21(31-22)18-12-28-16-29-13-18/h1-2,4-7,10,12-16,24H,3,8-9,11H2
• InChIKey: MJJNWDRAEXMFBU-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 84.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.94
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?

The IUPAC name of [2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone (CID 110151815) is [2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone.

What is the SMILES notation for [2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?

The canonical SMILES for [2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone is O=C(c1cccc(-c2cncnc2)n1)N1CCCC1c1cncc(Cc2cccc(Cl)c2)n1.

What is the InChIKey of [2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?

The InChIKey is MJJNWDRAEXMFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN6O/c26-19-5-1-4-17(10-19)11-20-14-27-15-23(30-20)24-8-3-9-32(24)25(33)22-7-2-6-21(31-22)18-12-28-16-29-13-18/h1-2,4-7,10,12-16,24H,3,8-9,11H2.

What are the key properties of [2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?

[2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone has a molecular weight of 456.94 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone is sourced from PubChem (CID 110151815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).