5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen

C17H20N6O2S2 — CID 158743301

About 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen

5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen (PubChem CID 158743301) has the molecular formula C17H20N6O2S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
• PubChem CID: 158743301
• Molecular Formula: C17H20N6O2S2
• Molecular Weight: 404.52 g/mol
• Exact Mass: 404.11
• IUPAC Name: 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen
• SMILES: C#Cc1c(C)nc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.[H][H].[H][H]
• InChI: InChI=1S/C17H16N6O2S2.2H2/c1-3-11-9(2)19-17(13-6-7-15(26-13)27(18,24)25)21-16(11)20-14-8-12(22-23-14)10-4-5-10;;/h1,6-8,10H,4-5H2,2H3,(H2,18,24,25)(H2,19,20,21,22,23);2*1H
• InChIKey: IMOORSMVIDUMDN-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 126.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.52
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen?

The IUPAC name of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen (CID 158743301) is 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen.

What is the SMILES notation for 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen?

The canonical SMILES for 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen is C#Cc1c(C)nc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.[H][H].[H][H].

What is the InChIKey of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen?

The InChIKey is IMOORSMVIDUMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S2.2H2/c1-3-11-9(2)19-17(13-6-7-15(26-13)27(18,24)25)21-16(11)20-14-8-12(22-23-14)10-4-5-10;;/h1,6-8,10H,4-5H2,2H3,(H2,18,24,25)(H2,19,20,21,22,23);2*1H.

What are the key properties of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen?

5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen has a molecular weight of 404.52 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynyl-6-methylpyrimidin-2-yl]thiophene-2-sulfonamide;molecular hydrogen is sourced from PubChem (CID 158743301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).