N-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-morpholin-4-ylbicyclo[3.1.1]hept-1-ene-2-carboxamide

C26H29N5O4 — CID 170408207

About N-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-morpholin-4-ylbicyclo[3.1.1]hept-1-ene-2-carboxamide

N-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-morpholin-4-ylbicyclo[3.1.1]hept-1-ene-2-carboxamide (PubChem CID 170408207) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-morpholin-4-ylbicyclo[3.1.1]hept-1-ene-2-carboxamide.

Molecular Properties

• Compound Name: N-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-morpholin-4-ylbicyclo[3.1.1]hept-1-ene-2-carboxamide
• PubChem CID: 170408207
• Molecular Formula: C26H29N5O4
• Molecular Weight: 475.55 g/mol
• Exact Mass: 475.22
• IUPAC Name: N-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-morpholin-4-ylbicyclo[3.1.1]hept-1-ene-2-carboxamide
• SMILES: COc1ccc(-c2ccnc3cc(NC(=O)C4=C5CC(N6CCOCC6)(CC4)C5)nn23)cc1OC
• InChI: InChI=1S/C26H29N5O4/c1-33-21-4-3-17(13-22(21)34-2)20-6-8-27-24-14-23(29-31(20)24)28-25(32)19-5-7-26(15-18(19)16-26)30-9-11-35-12-10-30/h3-4,6,8,13-14H,5,7,9-12,15-16H2,1-2H3,(H,28,29,32)
• InChIKey: ZROSXHWGXPSRNJ-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 90.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.55
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-morpholin-4-ylbicyclo[3.1.1]hept-1-ene-2-carboxamide?

The IUPAC name of N-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-morpholin-4-ylbicyclo[3.1.1]hept-1-ene-2-carboxamide (CID 170408207) is N-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-morpholin-4-ylbicyclo[3.1.1]hept-1-ene-2-carboxamide.

What is the SMILES notation for N-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-morpholin-4-ylbicyclo[3.1.1]hept-1-ene-2-carboxamide?

The canonical SMILES for N-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-morpholin-4-ylbicyclo[3.1.1]hept-1-ene-2-carboxamide is COc1ccc(-c2ccnc3cc(NC(=O)C4=C5CC(N6CCOCC6)(CC4)C5)nn23)cc1OC.

What is the InChIKey of N-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-morpholin-4-ylbicyclo[3.1.1]hept-1-ene-2-carboxamide?

The InChIKey is ZROSXHWGXPSRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-33-21-4-3-17(13-22(21)34-2)20-6-8-27-24-14-23(29-31(20)24)28-25(32)19-5-7-26(15-18(19)16-26)30-9-11-35-12-10-30/h3-4,6,8,13-14H,5,7,9-12,15-16H2,1-2H3,(H,28,29,32).

What are the key properties of N-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-morpholin-4-ylbicyclo[3.1.1]hept-1-ene-2-carboxamide?

N-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-morpholin-4-ylbicyclo[3.1.1]hept-1-ene-2-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-morpholin-4-ylbicyclo[3.1.1]hept-1-ene-2-carboxamide is sourced from PubChem (CID 170408207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).