3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide

C25H21N7O2 — CID 55763746

About 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide

3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide (PubChem CID 55763746) has the molecular formula C25H21N7O2 and a molecular weight of 451.49 g/mol. Its IUPAC name is 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide.

Molecular Properties

• Compound Name: 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
• PubChem CID: 55763746
• Molecular Formula: C25H21N7O2
• Molecular Weight: 451.49 g/mol
• Exact Mass: 451.18
• IUPAC Name: 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
• SMILES: Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C
• InChI: InChI=1S/C25H21N7O2/c1-15-11-20(34-25-18(12-26)5-4-10-28-25)6-8-22(15)31-23(33)9-7-21-16(2)30-24-19(13-27)14-29-32(24)17(21)3/h4-6,8,10-11,14H,7,9H2,1-3H3,(H,31,33)
• InChIKey: RDFNZYWZRAQWDB-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 128.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.49
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide?

The IUPAC name of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide (CID 55763746) is 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide.

What is the SMILES notation for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide?

The canonical SMILES for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide is Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C.

What is the InChIKey of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide?

The InChIKey is RDFNZYWZRAQWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O2/c1-15-11-20(34-25-18(12-26)5-4-10-28-25)6-8-22(15)31-23(33)9-7-21-16(2)30-24-19(13-27)14-29-32(24)17(21)3/h4-6,8,10-11,14H,7,9H2,1-3H3,(H,31,33).

What are the key properties of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide?

3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide has a molecular weight of 451.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide is sourced from PubChem (CID 55763746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).