5-N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine

C21H21FN8 — CID 163681818

About 5-N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine

5-N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine (PubChem CID 163681818) has the molecular formula C21H21FN8 and a molecular weight of 404.45 g/mol. Its IUPAC name is 5-N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine.

Molecular Properties

• Compound Name: 5-N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
• PubChem CID: 163681818
• Molecular Formula: C21H21FN8
• Molecular Weight: 404.45 g/mol
• Exact Mass: 404.19
• IUPAC Name: 5-N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
• SMILES: CN(c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N)C1CC1
• InChI: InChI=1S/C21H21FN8/c1-29(13-8-9-13)17-18(23)26-20(27-19(17)24)16-14-6-4-10-25-21(14)30(28-16)11-12-5-2-3-7-15(12)22/h2-7,10,13H,8-9,11H2,1H3,(H4,23,24,26,27)
• InChIKey: JLLPESRKHUYOIW-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 111.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.45
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine?

The IUPAC name of 5-N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine (CID 163681818) is 5-N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine.

What is the SMILES notation for 5-N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine?

The canonical SMILES for 5-N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine is CN(c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N)C1CC1.

What is the InChIKey of 5-N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine?

The InChIKey is JLLPESRKHUYOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN8/c1-29(13-8-9-13)17-18(23)26-20(27-19(17)24)16-14-6-4-10-25-21(14)30(28-16)11-12-5-2-3-7-15(12)22/h2-7,10,13H,8-9,11H2,1H3,(H4,23,24,26,27).

What are the key properties of 5-N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine?

5-N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine has a molecular weight of 404.45 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 163681818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).