2-[1-(2-chloro-6-cyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(1-hydroxypropan-2-yloxy)-N-(5-methyl-2-pyridinyl)propanamide

C24H22ClN7O4 — CID 76550400

About 2-[1-(2-chloro-6-cyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(1-hydroxypropan-2-yloxy)-N-(5-methyl-2-pyridinyl)propanamide

2-[1-(2-chloro-6-cyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(1-hydroxypropan-2-yloxy)-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 76550400) has the molecular formula C24H22ClN7O4 and a molecular weight of 507.94 g/mol. Its IUPAC name is 2-[1-(2-chloro-6-cyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(1-hydroxypropan-2-yloxy)-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

• Compound Name: 2-[1-(2-chloro-6-cyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(1-hydroxypropan-2-yloxy)-N-(5-methyl-2-pyridinyl)propanamide
• PubChem CID: 76550400
• Molecular Formula: C24H22ClN7O4
• Molecular Weight: 507.94 g/mol
• Exact Mass: 507.14
• IUPAC Name: 2-[1-(2-chloro-6-cyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(1-hydroxypropan-2-yloxy)-N-(5-methyl-2-pyridinyl)propanamide
• SMILES: Cc1ccc(NC(=O)C(COC(C)CO)Oc2ncnc3c2cnn3-c2c(Cl)cccc2C#N)nc1
• InChI: InChI=1S/C24H22ClN7O4/c1-14-6-7-20(27-9-14)31-23(34)19(12-35-15(2)11-33)36-24-17-10-30-32(22(17)28-13-29-24)21-16(8-26)4-3-5-18(21)25/h3-7,9-10,13,15,19,33H,11-12H2,1-2H3,(H,27,31,34)
• InChIKey: QZHRVFHGBNBXOV-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 148.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.94
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-6-cyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(1-hydroxypropan-2-yloxy)-N-(5-methyl-2-pyridinyl)propanamide?

The IUPAC name of 2-[1-(2-chloro-6-cyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(1-hydroxypropan-2-yloxy)-N-(5-methyl-2-pyridinyl)propanamide (CID 76550400) is 2-[1-(2-chloro-6-cyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(1-hydroxypropan-2-yloxy)-N-(5-methyl-2-pyridinyl)propanamide.

What is the SMILES notation for 2-[1-(2-chloro-6-cyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(1-hydroxypropan-2-yloxy)-N-(5-methyl-2-pyridinyl)propanamide?

The canonical SMILES for 2-[1-(2-chloro-6-cyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(1-hydroxypropan-2-yloxy)-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(NC(=O)C(COC(C)CO)Oc2ncnc3c2cnn3-c2c(Cl)cccc2C#N)nc1.

What is the InChIKey of 2-[1-(2-chloro-6-cyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(1-hydroxypropan-2-yloxy)-N-(5-methyl-2-pyridinyl)propanamide?

The InChIKey is QZHRVFHGBNBXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN7O4/c1-14-6-7-20(27-9-14)31-23(34)19(12-35-15(2)11-33)36-24-17-10-30-32(22(17)28-13-29-24)21-16(8-26)4-3-5-18(21)25/h3-7,9-10,13,15,19,33H,11-12H2,1-2H3,(H,27,31,34).

What are the key properties of 2-[1-(2-chloro-6-cyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(1-hydroxypropan-2-yloxy)-N-(5-methyl-2-pyridinyl)propanamide?

2-[1-(2-chloro-6-cyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(1-hydroxypropan-2-yloxy)-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 507.94 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-chloro-6-cyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(1-hydroxypropan-2-yloxy)-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 76550400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).