N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H34N8O3 — CID 137441541

About N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441541) has the molecular formula C26H34N8O3 and a molecular weight of 506.61 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137441541
• Molecular Formula: C26H34N8O3
• Molecular Weight: 506.61 g/mol
• Exact Mass: 506.28
• IUPAC Name: N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NCC(C)(C)CO)cnn12
• InChI: InChI=1S/C26H34N8O3/c1-26(2,17-35)16-29-25(36)19-14-30-34-22(27-3)13-21(31-24(19)34)20-15-33(23-18(20)5-4-6-28-23)8-7-32-9-11-37-12-10-32/h4-6,13-15,27,35H,7-12,16-17H2,1-3H3,(H,29,36)
• InChIKey: YNHOQQCULXPWLC-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 121.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.61
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441541) is N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-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 N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(CCN3CCOCC3)c3ncccc23)nc2c(C(=O)NCC(C)(C)CO)cnn12.

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

The InChIKey is YNHOQQCULXPWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O3/c1-26(2,17-35)16-29-25(36)19-14-30-34-22(27-3)13-21(31-24(19)34)20-15-33(23-18(20)5-4-6-28-23)8-7-32-9-11-37-12-10-32/h4-6,13-15,27,35H,7-12,16-17H2,1-3H3,(H,29,36).

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

N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-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 506.61 g/mol, XLogP of 1.87, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-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 137441541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).