3-amino-2,2-dimethylpropan-1-ol;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C46H60N14O5 — CID 157145258

About 3-amino-2,2-dimethylpropan-1-ol;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

3-amino-2,2-dimethylpropan-1-ol;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 157145258) has the molecular formula C46H60N14O5 and a molecular weight of 889.08 g/mol. Its IUPAC name is 3-amino-2,2-dimethylpropan-1-ol;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 3-amino-2,2-dimethylpropan-1-ol;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• PubChem CID: 157145258
• Molecular Formula: C46H60N14O5
• Molecular Weight: 889.08 g/mol
• Exact Mass: 888.49
• IUPAC Name: 3-amino-2,2-dimethylpropan-1-ol;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• SMILES: CC(C)(CN)CO.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)NCC(C)(C)CO)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)O)cnn12
• InChI: InChI=1S/C23H29N7O2.C18H18N6O2.C5H13NO/c1-14(2)29-11-17(15-7-6-8-25-20(15)29)18-9-19(24-5)30-21(28-18)16(10-27-30)22(32)26-12-23(3,4)13-31;1-10(2)23-9-13(11-5-4-6-20-16(11)23)14-7-15(19-3)24-17(22-14)12(8-21-24)18(25)26;1-5(2,3-6)4-7/h6-11,14,24,31H,12-13H2,1-5H3,(H,26,32);4-10,19H,1-3H3,(H,25,26);7H,3-4,6H2,1-2H3
• InChIKey: AKPZHOQFLGPZQR-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 252.96 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	889.08
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethylpropan-1-ol;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The IUPAC name of 3-amino-2,2-dimethylpropan-1-ol;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 157145258) is 3-amino-2,2-dimethylpropan-1-ol;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

What is the SMILES notation for 3-amino-2,2-dimethylpropan-1-ol;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The canonical SMILES for 3-amino-2,2-dimethylpropan-1-ol;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CC(C)(CN)CO.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)NCC(C)(C)CO)cnn12.CNc1cc(-c2cn(C(C)C)c3ncccc23)nc2c(C(=O)O)cnn12.

What is the InChIKey of 3-amino-2,2-dimethylpropan-1-ol;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The InChIKey is AKPZHOQFLGPZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2.C18H18N6O2.C5H13NO/c1-14(2)29-11-17(15-7-6-8-25-20(15)29)18-9-19(24-5)30-21(28-18)16(10-27-30)22(32)26-12-23(3,4)13-31;1-10(2)23-9-13(11-5-4-6-20-16(11)23)14-7-15(19-3)24-17(22-14)12(8-21-24)18(25)26;1-5(2,3-6)4-7/h6-11,14,24,31H,12-13H2,1-5H3,(H,26,32);4-10,19H,1-3H3,(H,25,26);7H,3-4,6H2,1-2H3.

What are the key properties of 3-amino-2,2-dimethylpropan-1-ol;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

3-amino-2,2-dimethylpropan-1-ol;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 889.08 g/mol, XLogP of 6.15, 13 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2,2-dimethylpropan-1-ol;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 157145258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).