2-(6-amino-3-pyridinyl)-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carboxamide

C24H25N11O — CID 142469269

About 2-(6-amino-3-pyridinyl)-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carboxamide

2-(6-amino-3-pyridinyl)-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 142469269) has the molecular formula C24H25N11O and a molecular weight of 483.54 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-(6-amino-3-pyridinyl)-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 142469269
• Molecular Formula: C24H25N11O
• Molecular Weight: 483.54 g/mol
• Exact Mass: 483.22
• IUPAC Name: 2-(6-amino-3-pyridinyl)-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1(C)CN(c2ccc(C#N)nn2)CC[C@H]1Nc1c(C(N)=O)cnc2cc(-c3ccc(N)nc3)nn12
• InChI: InChI=1S/C24H25N11O/c1-24(2)13-34(20-6-4-15(10-25)31-32-20)8-7-18(24)30-23-16(22(27)36)12-29-21-9-17(33-35(21)23)14-3-5-19(26)28-11-14/h3-6,9,11-12,18,30H,7-8,13H2,1-2H3,(H2,26,28)(H2,27,36)/t18-/m1/s1
• InChIKey: JXSIEYYMYPREPS-GOSISDBHSA-N
• XLogP: 1.85
• TPSA: 177.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.54
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 2-(6-amino-3-pyridinyl)-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 142469269) is 2-(6-amino-3-pyridinyl)-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-(6-amino-3-pyridinyl)-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 2-(6-amino-3-pyridinyl)-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carboxamide is CC1(C)CN(c2ccc(C#N)nn2)CC[C@H]1Nc1c(C(N)=O)cnc2cc(-c3ccc(N)nc3)nn12.

What is the InChIKey of 2-(6-amino-3-pyridinyl)-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is JXSIEYYMYPREPS-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25N11O/c1-24(2)13-34(20-6-4-15(10-25)31-32-20)8-7-18(24)30-23-16(22(27)36)12-29-21-9-17(33-35(21)23)14-3-5-19(26)28-11-14/h3-6,9,11-12,18,30H,7-8,13H2,1-2H3,(H2,26,28)(H2,27,36)/t18-/m1/s1.

What are the key properties of 2-(6-amino-3-pyridinyl)-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carboxamide?

2-(6-amino-3-pyridinyl)-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 483.54 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-amino-3-pyridinyl)-7-[[(4R)-1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 142469269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).