2-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine

C18H22N6O2 — CID 123967588

About 2-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine

2-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine (PubChem CID 123967588) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: 2-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine
• PubChem CID: 123967588
• Molecular Formula: C18H22N6O2
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.18
• IUPAC Name: 2-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine
• SMILES: CC(C)Oc1cc2c(-c3cc(N4CCOC(C)C4)ncn3)n[nH]c2cn1
• InChI: InChI=1S/C18H22N6O2/c1-11(2)26-17-6-13-15(8-19-17)22-23-18(13)14-7-16(21-10-20-14)24-4-5-25-12(3)9-24/h6-8,10-12H,4-5,9H2,1-3H3,(H,22,23)
• InChIKey: CDITWIQLXMLUPL-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 89.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine?

The IUPAC name of 2-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine (CID 123967588) is 2-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine.

What is the SMILES notation for 2-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine?

The canonical SMILES for 2-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine is CC(C)Oc1cc2c(-c3cc(N4CCOC(C)C4)ncn3)n[nH]c2cn1.

What is the InChIKey of 2-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine?

The InChIKey is CDITWIQLXMLUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-11(2)26-17-6-13-15(8-19-17)22-23-18(13)14-7-16(21-10-20-14)24-4-5-25-12(3)9-24/h6-8,10-12H,4-5,9H2,1-3H3,(H,22,23).

What are the key properties of 2-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine?

2-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine has a molecular weight of 354.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 123967588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).