7-amino-2-ethyl-5-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethylamino]-3-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C20H25N7O — CID 164570623

About 7-amino-2-ethyl-5-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethylamino]-3-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-2-ethyl-5-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethylamino]-3-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 164570623) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 7-amino-2-ethyl-5-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethylamino]-3-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

• Compound Name: 7-amino-2-ethyl-5-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethylamino]-3-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
• PubChem CID: 164570623
• Molecular Formula: C20H25N7O
• Molecular Weight: 379.47 g/mol
• Exact Mass: 379.21
• IUPAC Name: 7-amino-2-ethyl-5-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethylamino]-3-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
• SMILES: CCc1nn2c(N)c(C#N)c(NCCc3cccc(C(C)(C)O)n3)nc2c1C
• InChI: InChI=1S/C20H25N7O/c1-5-15-12(2)19-25-18(14(11-21)17(22)27(19)26-15)23-10-9-13-7-6-8-16(24-13)20(3,4)28/h6-8,28H,5,9-10,22H2,1-4H3,(H,23,25)
• InChIKey: GVADYNSFNWARRO-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 125.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.47
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-ethyl-5-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethylamino]-3-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?

The IUPAC name of 7-amino-2-ethyl-5-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethylamino]-3-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 164570623) is 7-amino-2-ethyl-5-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethylamino]-3-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

What is the SMILES notation for 7-amino-2-ethyl-5-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethylamino]-3-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?

The canonical SMILES for 7-amino-2-ethyl-5-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethylamino]-3-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is CCc1nn2c(N)c(C#N)c(NCCc3cccc(C(C)(C)O)n3)nc2c1C.

What is the InChIKey of 7-amino-2-ethyl-5-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethylamino]-3-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?

The InChIKey is GVADYNSFNWARRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-5-15-12(2)19-25-18(14(11-21)17(22)27(19)26-15)23-10-9-13-7-6-8-16(24-13)20(3,4)28/h6-8,28H,5,9-10,22H2,1-4H3,(H,23,25).

What are the key properties of 7-amino-2-ethyl-5-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethylamino]-3-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?

7-amino-2-ethyl-5-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethylamino]-3-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 379.47 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-2-ethyl-5-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethylamino]-3-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 164570623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).