5-[[5-[2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile

C20H25N7O2 — CID 146047582

About 5-[[5-[2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 146047582) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 5-[[5-[2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[5-[2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 146047582
• Molecular Formula: C20H25N7O2
• Molecular Weight: 395.47 g/mol
• Exact Mass: 395.21
• IUPAC Name: 5-[[5-[2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
• SMILES: COc1cc(O[C@@H]2CCN(C)C2)ccc1C1CC(Nc2cnc(C#N)cn2)NN1
• InChI: InChI=1S/C20H25N7O2/c1-27-6-5-15(12-27)29-14-3-4-16(18(7-14)28-2)17-8-19(26-25-17)24-20-11-22-13(9-21)10-23-20/h3-4,7,10-11,15,17,19,25-26H,5-6,8,12H2,1-2H3,(H,23,24)/t15-,17?,19?/m1/s1
• InChIKey: JBUSGJVONJEFEH-LSJNQWAISA-N
• XLogP: 1.42
• TPSA: 107.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.47
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 5-[[5-[2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (CID 146047582) is 5-[[5-[2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 5-[[5-[2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 5-[[5-[2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is COc1cc(O[C@@H]2CCN(C)C2)ccc1C1CC(Nc2cnc(C#N)cn2)NN1.

What is the InChIKey of 5-[[5-[2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?

The InChIKey is JBUSGJVONJEFEH-LSJNQWAISA-N. The full InChI is InChI=1S/C20H25N7O2/c1-27-6-5-15(12-27)29-14-3-4-16(18(7-14)28-2)17-8-19(26-25-17)24-20-11-22-13(9-21)10-23-20/h3-4,7,10-11,15,17,19,25-26H,5-6,8,12H2,1-2H3,(H,23,24)/t15-,17?,19?/m1/s1.

What are the key properties of 5-[[5-[2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?

5-[[5-[2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 395.47 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 146047582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).