5-fluoro-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine

C21H21FN8 — CID 123388997

About 5-fluoro-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine

5-fluoro-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine (PubChem CID 123388997) has the molecular formula C21H21FN8 and a molecular weight of 404.45 g/mol. Its IUPAC name is 5-fluoro-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine.

Molecular Properties

• Compound Name: 5-fluoro-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
• PubChem CID: 123388997
• Molecular Formula: C21H21FN8
• Molecular Weight: 404.45 g/mol
• Exact Mass: 404.19
• IUPAC Name: 5-fluoro-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
• SMILES: Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CC(N)CC(F)C3)n2)n1
• InChI: InChI=1S/C21H21FN8/c1-13-7-24-10-18(27-13)17-6-19-14(8-25-17)9-26-30(19)21-4-2-3-20(28-21)29-11-15(22)5-16(23)12-29/h2-4,6-10,15-16H,5,11-12,23H2,1H3
• InChIKey: LNMWCDOUCVMIEV-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 98.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.45
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine?

The IUPAC name of 5-fluoro-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine (CID 123388997) is 5-fluoro-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine.

What is the SMILES notation for 5-fluoro-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine?

The canonical SMILES for 5-fluoro-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine is Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CC(N)CC(F)C3)n2)n1.

What is the InChIKey of 5-fluoro-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine?

The InChIKey is LNMWCDOUCVMIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN8/c1-13-7-24-10-18(27-13)17-6-19-14(8-25-17)9-26-30(19)21-4-2-3-20(28-21)29-11-15(22)5-16(23)12-29/h2-4,6-10,15-16H,5,11-12,23H2,1H3.

What are the key properties of 5-fluoro-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine?

5-fluoro-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine has a molecular weight of 404.45 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 123388997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).