N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-methylimidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-N'-ethyl-N'-methyloxamide

C24H26N8O2S — CID 59299077

About N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-methylimidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-N'-ethyl-N'-methyloxamide

N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-methylimidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-N'-ethyl-N'-methyloxamide (PubChem CID 59299077) has the molecular formula C24H26N8O2S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-methylimidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-N'-ethyl-N'-methyloxamide.

Molecular Properties

• Compound Name: N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-methylimidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-N'-ethyl-N'-methyloxamide
• PubChem CID: 59299077
• Molecular Formula: C24H26N8O2S
• Molecular Weight: 490.59 g/mol
• Exact Mass: 490.19
• IUPAC Name: N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-methylimidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-N'-ethyl-N'-methyloxamide
• SMILES: CCN(C)C(=O)C(=O)Nc1ccc(Sc2cc3nc(C)cn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1
• InChI: InChI=1S/C24H26N8O2S/c1-4-31(3)23(34)22(33)26-16-7-9-17(10-8-16)35-21-12-20-25-14(2)13-32(20)24(28-21)27-19-11-18(29-30-19)15-5-6-15/h7-13,15H,4-6H2,1-3H3,(H,26,33)(H2,27,28,29,30)
• InChIKey: PTUBKPJRDFOSDO-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 120.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.59
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-methylimidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-N'-ethyl-N'-methyloxamide?

The IUPAC name of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-methylimidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-N'-ethyl-N'-methyloxamide (CID 59299077) is N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-methylimidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-N'-ethyl-N'-methyloxamide.

What is the SMILES notation for N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-methylimidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-N'-ethyl-N'-methyloxamide?

The canonical SMILES for N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-methylimidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-N'-ethyl-N'-methyloxamide is CCN(C)C(=O)C(=O)Nc1ccc(Sc2cc3nc(C)cn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1.

What is the InChIKey of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-methylimidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-N'-ethyl-N'-methyloxamide?

The InChIKey is PTUBKPJRDFOSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2S/c1-4-31(3)23(34)22(33)26-16-7-9-17(10-8-16)35-21-12-20-25-14(2)13-32(20)24(28-21)27-19-11-18(29-30-19)15-5-6-15/h7-13,15H,4-6H2,1-3H3,(H,26,33)(H2,27,28,29,30).

What are the key properties of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-methylimidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-N'-ethyl-N'-methyloxamide?

N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-methylimidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-N'-ethyl-N'-methyloxamide has a molecular weight of 490.59 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-methylimidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-N'-ethyl-N'-methyloxamide is sourced from PubChem (CID 59299077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).