2-[3-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpyrazol-1-yl]-N,N-dimethylethanamine

C28H33N9O2 — CID 166165021

About 2-[3-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpyrazol-1-yl]-N,N-dimethylethanamine

2-[3-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 166165021) has the molecular formula C28H33N9O2 and a molecular weight of 527.63 g/mol. Its IUPAC name is 2-[3-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: 2-[3-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpyrazol-1-yl]-N,N-dimethylethanamine
• PubChem CID: 166165021
• Molecular Formula: C28H33N9O2
• Molecular Weight: 527.63 g/mol
• Exact Mass: 527.28
• IUPAC Name: 2-[3-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpyrazol-1-yl]-N,N-dimethylethanamine
• SMILES: COc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5cc(C)n(CCN(C)C)n5)cc4n3)n2)c1
• InChI: InChI=1S/C28H33N9O2/c1-20-16-24(31-35(20)11-10-33(2)3)25-18-27-29-26(19-28(37(27)32-25)34-12-14-39-15-13-34)36-9-8-23(30-36)21-6-5-7-22(17-21)38-4/h5-9,16-19H,10-15H2,1-4H3
• InChIKey: RHVUOEBZZWDQHO-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 90.77 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.63
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpyrazol-1-yl]-N,N-dimethylethanamine?

The IUPAC name of 2-[3-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpyrazol-1-yl]-N,N-dimethylethanamine (CID 166165021) is 2-[3-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpyrazol-1-yl]-N,N-dimethylethanamine.

What is the SMILES notation for 2-[3-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpyrazol-1-yl]-N,N-dimethylethanamine?

The canonical SMILES for 2-[3-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpyrazol-1-yl]-N,N-dimethylethanamine is COc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5cc(C)n(CCN(C)C)n5)cc4n3)n2)c1.

What is the InChIKey of 2-[3-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpyrazol-1-yl]-N,N-dimethylethanamine?

The InChIKey is RHVUOEBZZWDQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N9O2/c1-20-16-24(31-35(20)11-10-33(2)3)25-18-27-29-26(19-28(37(27)32-25)34-12-14-39-15-13-34)36-9-8-23(30-36)21-6-5-7-22(17-21)38-4/h5-9,16-19H,10-15H2,1-4H3.

What are the key properties of 2-[3-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpyrazol-1-yl]-N,N-dimethylethanamine?

2-[3-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 527.63 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-5-methylpyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 166165021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).