2-[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-pyridinyl)pyrazol-5-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-(6-methoxy-2-pyridinyl)pyrazol-3-yl]pyrimidine

C40H32F2N10O2 — CID 158132478

About 2-[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-pyridinyl)pyrazol-5-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-(6-methoxy-2-pyridinyl)pyrazol-3-yl]pyrimidine

2-[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-pyridinyl)pyrazol-5-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-(6-methoxy-2-pyridinyl)pyrazol-3-yl]pyrimidine (PubChem CID 158132478) has the molecular formula C40H32F2N10O2 and a molecular weight of 722.76 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-pyridinyl)pyrazol-5-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-(6-methoxy-2-pyridinyl)pyrazol-3-yl]pyrimidine.

Molecular Properties

• Compound Name: 2-[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-pyridinyl)pyrazol-5-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-(6-methoxy-2-pyridinyl)pyrazol-3-yl]pyrimidine
• PubChem CID: 158132478
• Molecular Formula: C40H32F2N10O2
• Molecular Weight: 722.76 g/mol
• Exact Mass: 722.27
• IUPAC Name: 2-[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-pyridinyl)pyrazol-5-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-(6-methoxy-2-pyridinyl)pyrazol-3-yl]pyrimidine
• SMILES: COc1cccc(-c2cc(-c3ncccn3)n(Cc3ccccc3F)n2)n1.COc1cccc(-c2cc(-c3ncccn3)nn2Cc2ccccc2F)n1
• InChI: InChI=1S/2C20H16FN5O/c1-27-19-9-4-8-16(24-19)18-12-17(20-22-10-5-11-23-20)25-26(18)13-14-6-2-3-7-15(14)21;1-27-19-9-4-8-16(24-19)17-12-18(20-22-10-5-11-23-20)26(25-17)13-14-6-2-3-7-15(14)21/h2*2-12H,13H2,1H3
• InChIKey: FSYIFFPJKGOOIA-UHFFFAOYSA-N
• XLogP: 7.20
• TPSA: 131.44 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	722.76
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-pyridinyl)pyrazol-5-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-(6-methoxy-2-pyridinyl)pyrazol-3-yl]pyrimidine?

The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-pyridinyl)pyrazol-5-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-(6-methoxy-2-pyridinyl)pyrazol-3-yl]pyrimidine (CID 158132478) is 2-[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-pyridinyl)pyrazol-5-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-(6-methoxy-2-pyridinyl)pyrazol-3-yl]pyrimidine.

What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-pyridinyl)pyrazol-5-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-(6-methoxy-2-pyridinyl)pyrazol-3-yl]pyrimidine?

The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-pyridinyl)pyrazol-5-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-(6-methoxy-2-pyridinyl)pyrazol-3-yl]pyrimidine is COc1cccc(-c2cc(-c3ncccn3)n(Cc3ccccc3F)n2)n1.COc1cccc(-c2cc(-c3ncccn3)nn2Cc2ccccc2F)n1.

What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-pyridinyl)pyrazol-5-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-(6-methoxy-2-pyridinyl)pyrazol-3-yl]pyrimidine?

The InChIKey is FSYIFFPJKGOOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H16FN5O/c1-27-19-9-4-8-16(24-19)18-12-17(20-22-10-5-11-23-20)25-26(18)13-14-6-2-3-7-15(14)21;1-27-19-9-4-8-16(24-19)17-12-18(20-22-10-5-11-23-20)26(25-17)13-14-6-2-3-7-15(14)21/h2*2-12H,13H2,1H3.

What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-pyridinyl)pyrazol-5-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-(6-methoxy-2-pyridinyl)pyrazol-3-yl]pyrimidine?

2-[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-pyridinyl)pyrazol-5-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-(6-methoxy-2-pyridinyl)pyrazol-3-yl]pyrimidine has a molecular weight of 722.76 g/mol, XLogP of 7.20, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-pyridinyl)pyrazol-5-yl]pyrimidine;2-[1-[(2-fluorophenyl)methyl]-5-(6-methoxy-2-pyridinyl)pyrazol-3-yl]pyrimidine is sourced from PubChem (CID 158132478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).