3-ethyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one

C₂₁H₂₇N₇O₃ — CID 122692677

About 3-ethyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one

3-ethyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one (PubChem CID 122692677) has the molecular formula C₂₁H₂₇N₇O₃ and a molecular weight of 425.49 g/mol. Its IUPAC name is 3-ethyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

• Compound Name: 3-ethyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one
• PubChem CID: 122692677
• Molecular Formula: C₂₁H₂₇N₇O₃
• Molecular Weight: 425.49 g/mol
• Exact Mass: 425.22
• IUPAC Name: 3-ethyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one
• SMILES: C=CC(=O)N1CCCC(n2cc(Nc3cn(C)nc3OC)c3ncc(CC)n3c2=O)C1
• InChI: InChI=1S/C21H27N7O3/c1-5-14-10-22-19-16(23-17-12-25(3)24-20(17)31-4)13-27(21(30)28(14)19)15-8-7-9-26(11-15)18(29)6-2/h6,10,12-13,15,23H,2,5,7-9,11H2,1,3-4H3
• InChIKey: VUTIOHWPTPMXMS-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 98.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.49
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one?

The IUPAC name of 3-ethyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one (CID 122692677) is 3-ethyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one.

What is the SMILES notation for 3-ethyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one?

The canonical SMILES for 3-ethyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one is C=CC(=O)N1CCCC(n2cc(Nc3cn(C)nc3OC)c3ncc(CC)n3c2=O)C1.

What is the InChIKey of 3-ethyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one?

The InChIKey is VUTIOHWPTPMXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O3/c1-5-14-10-22-19-16(23-17-12-25(3)24-20(17)31-4)13-27(21(30)28(14)19)15-8-7-9-26(11-15)18(29)6-2/h6,10,12-13,15,23H,2,5,7-9,11H2,1,3-4H3.

What are the key properties of 3-ethyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one?

3-ethyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 425.49 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoylpiperidin-3-yl)imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 122692677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122692677 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.