7-[benzyl(methyl)amino]-N-(4-hydroxyoxolan-3-yl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C32H36N8O4 — CID 142523618

About 7-[benzyl(methyl)amino]-N-(4-hydroxyoxolan-3-yl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[benzyl(methyl)amino]-N-(4-hydroxyoxolan-3-yl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142523618) has the molecular formula C32H36N8O4 and a molecular weight of 596.69 g/mol. Its IUPAC name is 7-[benzyl(methyl)amino]-N-(4-hydroxyoxolan-3-yl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[benzyl(methyl)amino]-N-(4-hydroxyoxolan-3-yl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 142523618
• Molecular Formula: C32H36N8O4
• Molecular Weight: 596.69 g/mol
• Exact Mass: 596.29
• IUPAC Name: 7-[benzyl(methyl)amino]-N-(4-hydroxyoxolan-3-yl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN(Cc1ccccc1)c1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NC3COCC3O)cnn12
• InChI: InChI=1S/C32H36N8O4/c1-37(18-22-6-3-2-4-7-22)29-16-26(35-31-24(17-34-40(29)31)32(42)36-27-20-44-21-28(27)41)25-19-39(30-23(25)8-5-9-33-30)11-10-38-12-14-43-15-13-38/h2-9,16-17,19,27-28,41H,10-15,18,20-21H2,1H3,(H,36,42)
• InChIKey: OFWOZWDLKKBDJD-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 122.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.69
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 7-[benzyl(methyl)amino]-N-(4-hydroxyoxolan-3-yl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-[benzyl(methyl)amino]-N-(4-hydroxyoxolan-3-yl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142523618) is 7-[benzyl(methyl)amino]-N-(4-hydroxyoxolan-3-yl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-[benzyl(methyl)amino]-N-(4-hydroxyoxolan-3-yl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-[benzyl(methyl)amino]-N-(4-hydroxyoxolan-3-yl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(Cc1ccccc1)c1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NC3COCC3O)cnn12.

What is the InChIKey of 7-[benzyl(methyl)amino]-N-(4-hydroxyoxolan-3-yl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is OFWOZWDLKKBDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N8O4/c1-37(18-22-6-3-2-4-7-22)29-16-26(35-31-24(17-34-40(29)31)32(42)36-27-20-44-21-28(27)41)25-19-39(30-23(25)8-5-9-33-30)11-10-38-12-14-43-15-13-38/h2-9,16-17,19,27-28,41H,10-15,18,20-21H2,1H3,(H,36,42).

What are the key properties of 7-[benzyl(methyl)amino]-N-(4-hydroxyoxolan-3-yl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

7-[benzyl(methyl)amino]-N-(4-hydroxyoxolan-3-yl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 596.69 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[benzyl(methyl)amino]-N-(4-hydroxyoxolan-3-yl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142523618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).