3-methoxy-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one

C20H24N6O2 — CID 127251253

About 3-methoxy-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one

3-methoxy-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 127251253) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-methoxy-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-methoxy-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 127251253
• Molecular Formula: C20H24N6O2
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.20
• IUPAC Name: 3-methoxy-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one
• SMILES: COCCC(=O)N1CCC(c2ccc3c(NCc4ccccn4)n[nH]c3n2)C1
• InChI: InChI=1S/C20H24N6O2/c1-28-11-8-18(27)26-10-7-14(13-26)17-6-5-16-19(24-25-20(16)23-17)22-12-15-4-2-3-9-21-15/h2-6,9,14H,7-8,10-13H2,1H3,(H2,22,23,24,25)
• InChIKey: PSVXCMJXWSYWOR-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 96.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 3-methoxy-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one (CID 127251253) is 3-methoxy-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 3-methoxy-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 3-methoxy-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one is COCCC(=O)N1CCC(c2ccc3c(NCc4ccccn4)n[nH]c3n2)C1.

What is the InChIKey of 3-methoxy-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one?

The InChIKey is PSVXCMJXWSYWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-28-11-8-18(27)26-10-7-14(13-26)17-6-5-16-19(24-25-20(16)23-17)22-12-15-4-2-3-9-21-15/h2-6,9,14H,7-8,10-13H2,1H3,(H2,22,23,24,25).

What are the key properties of 3-methoxy-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one?

3-methoxy-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 380.45 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 127251253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).