1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine

C20H18FN7 — CID 71253272

About 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine

1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine (PubChem CID 71253272) has the molecular formula C20H18FN7 and a molecular weight of 375.41 g/mol. Its IUPAC name is 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine.

Molecular Properties

• Compound Name: 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine
• PubChem CID: 71253272
• Molecular Formula: C20H18FN7
• Molecular Weight: 375.41 g/mol
• Exact Mass: 375.16
• IUPAC Name: 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine
• SMILES: NC1CCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)C1
• InChI: InChI=1S/C20H18FN7/c21-15-4-2-1-3-13(15)20-14-7-16(24-9-17(14)26-27-20)18-8-23-10-19(25-18)28-6-5-12(22)11-28/h1-4,7-10,12H,5-6,11,22H2,(H,26,27)
• InChIKey: YSYVRFJJFUKXNR-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 96.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.41
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine?

The IUPAC name of 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine (CID 71253272) is 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine.

What is the SMILES notation for 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine?

The canonical SMILES for 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine is NC1CCN(c2cncc(-c3cc4c(-c5ccccc5F)n[nH]c4cn3)n2)C1.

What is the InChIKey of 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine?

The InChIKey is YSYVRFJJFUKXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7/c21-15-4-2-1-3-13(15)20-14-7-16(24-9-17(14)26-27-20)18-8-23-10-19(25-18)28-6-5-12(22)11-28/h1-4,7-10,12H,5-6,11,22H2,(H,26,27).

What are the key properties of 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine?

1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine has a molecular weight of 375.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 71253272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).