5-[[6-[(6-amino-3-pyridinyl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methylpyridine-3-carboxamide

C26H33N11O — CID 167444363

About 5-[[6-[(6-amino-3-pyridinyl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methylpyridine-3-carboxamide

5-[[6-[(6-amino-3-pyridinyl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 167444363) has the molecular formula C26H33N11O and a molecular weight of 515.63 g/mol. Its IUPAC name is 5-[[6-[(6-amino-3-pyridinyl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[6-[(6-amino-3-pyridinyl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methylpyridine-3-carboxamide
• PubChem CID: 167444363
• Molecular Formula: C26H33N11O
• Molecular Weight: 515.63 g/mol
• Exact Mass: 515.29
• IUPAC Name: 5-[[6-[(6-amino-3-pyridinyl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methylpyridine-3-carboxamide
• SMILES: Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1Nc1nn(C)c2nc(Nc3ccc(N)nc3)ncc12
• InChI: InChI=1S/C26H33N11O/c1-16-20(12-17(13-29-16)24(38)28-9-11-37-10-5-8-26(37,2)3)33-22-19-15-31-25(34-23(19)36(4)35-22)32-18-6-7-21(27)30-14-18/h6-7,12-15H,5,8-11H2,1-4H3,(H2,27,30)(H,28,38)(H,33,35)(H,31,32,34)
• InChIKey: PQQGYFRIBPGNME-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 151.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.63
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[(6-amino-3-pyridinyl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methylpyridine-3-carboxamide?

The IUPAC name of 5-[[6-[(6-amino-3-pyridinyl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methylpyridine-3-carboxamide (CID 167444363) is 5-[[6-[(6-amino-3-pyridinyl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methylpyridine-3-carboxamide.

What is the SMILES notation for 5-[[6-[(6-amino-3-pyridinyl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methylpyridine-3-carboxamide?

The canonical SMILES for 5-[[6-[(6-amino-3-pyridinyl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methylpyridine-3-carboxamide is Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1Nc1nn(C)c2nc(Nc3ccc(N)nc3)ncc12.

What is the InChIKey of 5-[[6-[(6-amino-3-pyridinyl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methylpyridine-3-carboxamide?

The InChIKey is PQQGYFRIBPGNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N11O/c1-16-20(12-17(13-29-16)24(38)28-9-11-37-10-5-8-26(37,2)3)33-22-19-15-31-25(34-23(19)36(4)35-22)32-18-6-7-21(27)30-14-18/h6-7,12-15H,5,8-11H2,1-4H3,(H2,27,30)(H,28,38)(H,33,35)(H,31,32,34).

What are the key properties of 5-[[6-[(6-amino-3-pyridinyl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methylpyridine-3-carboxamide?

5-[[6-[(6-amino-3-pyridinyl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 515.63 g/mol, XLogP of 3.14, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-[(6-amino-3-pyridinyl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 167444363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).