1-[4-chloro-6-(4,5-dipropyl-1,2-oxazol-3-yl)-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]-N-methyl-N-propylpropan-2-amine;ethane

C26H45ClN6O — CID 178105050

About 1-[4-chloro-6-(4,5-dipropyl-1,2-oxazol-3-yl)-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]-N-methyl-N-propylpropan-2-amine;ethane

1-[4-chloro-6-(4,5-dipropyl-1,2-oxazol-3-yl)-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]-N-methyl-N-propylpropan-2-amine;ethane (PubChem CID 178105050) has the molecular formula C26H45ClN6O and a molecular weight of 493.14 g/mol. Its IUPAC name is 1-[4-chloro-6-(4,5-dipropyl-1,2-oxazol-3-yl)-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]-N-methyl-N-propylpropan-2-amine;ethane.

Molecular Properties

• Compound Name: 1-[4-chloro-6-(4,5-dipropyl-1,2-oxazol-3-yl)-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]-N-methyl-N-propylpropan-2-amine;ethane
• PubChem CID: 178105050
• Molecular Formula: C26H45ClN6O
• Molecular Weight: 493.14 g/mol
• Exact Mass: 492.33
• IUPAC Name: 1-[4-chloro-6-(4,5-dipropyl-1,2-oxazol-3-yl)-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]-N-methyl-N-propylpropan-2-amine;ethane
• SMILES: CC.CC.CCCc1onc(-c2nc(Cl)c3c(C)nn(CC(C)N(C)CCC)c3n2)c1CCC
• InChI: InChI=1S/C22H33ClN6O.2C2H6/c1-7-10-16-17(11-8-2)30-27-19(16)21-24-20(23)18-15(5)26-29(22(18)25-21)13-14(4)28(6)12-9-3;2*1-2/h14H,7-13H2,1-6H3;2*1-2H3
• InChIKey: VHXCJEQPQFSMHW-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 72.87 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.14
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-6-(4,5-dipropyl-1,2-oxazol-3-yl)-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]-N-methyl-N-propylpropan-2-amine;ethane?

The IUPAC name of 1-[4-chloro-6-(4,5-dipropyl-1,2-oxazol-3-yl)-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]-N-methyl-N-propylpropan-2-amine;ethane (CID 178105050) is 1-[4-chloro-6-(4,5-dipropyl-1,2-oxazol-3-yl)-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]-N-methyl-N-propylpropan-2-amine;ethane.

What is the SMILES notation for 1-[4-chloro-6-(4,5-dipropyl-1,2-oxazol-3-yl)-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]-N-methyl-N-propylpropan-2-amine;ethane?

The canonical SMILES for 1-[4-chloro-6-(4,5-dipropyl-1,2-oxazol-3-yl)-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]-N-methyl-N-propylpropan-2-amine;ethane is CC.CC.CCCc1onc(-c2nc(Cl)c3c(C)nn(CC(C)N(C)CCC)c3n2)c1CCC.

What is the InChIKey of 1-[4-chloro-6-(4,5-dipropyl-1,2-oxazol-3-yl)-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]-N-methyl-N-propylpropan-2-amine;ethane?

The InChIKey is VHXCJEQPQFSMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN6O.2C2H6/c1-7-10-16-17(11-8-2)30-27-19(16)21-24-20(23)18-15(5)26-29(22(18)25-21)13-14(4)28(6)12-9-3;2*1-2/h14H,7-13H2,1-6H3;2*1-2H3.

What are the key properties of 1-[4-chloro-6-(4,5-dipropyl-1,2-oxazol-3-yl)-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]-N-methyl-N-propylpropan-2-amine;ethane?

1-[4-chloro-6-(4,5-dipropyl-1,2-oxazol-3-yl)-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]-N-methyl-N-propylpropan-2-amine;ethane has a molecular weight of 493.14 g/mol, XLogP of 7.13, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-chloro-6-(4,5-dipropyl-1,2-oxazol-3-yl)-3-methylpyrazolo[5,4-d]pyrimidin-1-yl]-N-methyl-N-propylpropan-2-amine;ethane is sourced from PubChem (CID 178105050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).