2-(1-cyclopropylsulfonylpyrazol-4-yl)-N-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]pyrimidin-4-amine

C24H24N8O3S — CID 167426703

About 2-(1-cyclopropylsulfonylpyrazol-4-yl)-N-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]pyrimidin-4-amine

2-(1-cyclopropylsulfonylpyrazol-4-yl)-N-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]pyrimidin-4-amine (PubChem CID 167426703) has the molecular formula C24H24N8O3S and a molecular weight of 504.58 g/mol. Its IUPAC name is 2-(1-cyclopropylsulfonylpyrazol-4-yl)-N-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-(1-cyclopropylsulfonylpyrazol-4-yl)-N-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]pyrimidin-4-amine
• PubChem CID: 167426703
• Molecular Formula: C24H24N8O3S
• Molecular Weight: 504.58 g/mol
• Exact Mass: 504.17
• IUPAC Name: 2-(1-cyclopropylsulfonylpyrazol-4-yl)-N-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]pyrimidin-4-amine
• SMILES: CC(C)Oc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C#Cc1cnn(C)c1
• InChI: InChI=1S/C24H24N8O3S/c1-16(2)35-21-10-23(26-12-18(21)5-4-17-11-27-31(3)14-17)29-22-8-9-25-24(30-22)19-13-28-32(15-19)36(33,34)20-6-7-20/h8-16,20H,6-7H2,1-3H3,(H,25,26,29,30)
• InChIKey: YPFOUXDZAPICBM-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 129.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.58
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylsulfonylpyrazol-4-yl)-N-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]pyrimidin-4-amine?

The IUPAC name of 2-(1-cyclopropylsulfonylpyrazol-4-yl)-N-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]pyrimidin-4-amine (CID 167426703) is 2-(1-cyclopropylsulfonylpyrazol-4-yl)-N-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]pyrimidin-4-amine.

What is the SMILES notation for 2-(1-cyclopropylsulfonylpyrazol-4-yl)-N-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]pyrimidin-4-amine?

The canonical SMILES for 2-(1-cyclopropylsulfonylpyrazol-4-yl)-N-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]pyrimidin-4-amine is CC(C)Oc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C#Cc1cnn(C)c1.

What is the InChIKey of 2-(1-cyclopropylsulfonylpyrazol-4-yl)-N-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]pyrimidin-4-amine?

The InChIKey is YPFOUXDZAPICBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O3S/c1-16(2)35-21-10-23(26-12-18(21)5-4-17-11-27-31(3)14-17)29-22-8-9-25-24(30-22)19-13-28-32(15-19)36(33,34)20-6-7-20/h8-16,20H,6-7H2,1-3H3,(H,25,26,29,30).

What are the key properties of 2-(1-cyclopropylsulfonylpyrazol-4-yl)-N-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]pyrimidin-4-amine?

2-(1-cyclopropylsulfonylpyrazol-4-yl)-N-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 504.58 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-cyclopropylsulfonylpyrazol-4-yl)-N-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 167426703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).