trimethyl-[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]stannane

C22H32N4OSn — CID 168921770

About trimethyl-[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]stannane

trimethyl-[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]stannane (PubChem CID 168921770) has the molecular formula C22H32N4OSn and a molecular weight of 487.24 g/mol. Its IUPAC name is trimethyl-[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]stannane.

Molecular Properties

• Compound Name: trimethyl-[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]stannane
• PubChem CID: 168921770
• Molecular Formula: C22H32N4OSn
• Molecular Weight: 487.24 g/mol
• Exact Mass: 488.16
• IUPAC Name: trimethyl-[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]stannane
• SMILES: C/C=C\C(=C/C=C/CC)c1cc2nc([Sn](C)(C)C)cc(N3CCOCC3)n2n1
• InChI: InChI=1S/C19H23N4O.3CH3.Sn/c1-3-5-6-8-16(7-4-2)17-15-18-20-10-9-19(23(18)21-17)22-11-13-24-14-12-22;;;;/h4-9,15H,3,11-14H2,1-2H3;3*1H3;/b6-5+,7-4-,16-8+
• InChIKey: CJIANEJNPJSEFB-NAHFIZEDSA-N
• XLogP: 4.04
• TPSA: 42.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.24
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]stannane?

The IUPAC name of trimethyl-[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]stannane (CID 168921770) is trimethyl-[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]stannane.

What is the SMILES notation for trimethyl-[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]stannane?

The canonical SMILES for trimethyl-[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]stannane is C/C=C\C(=C/C=C/CC)c1cc2nc([Sn](C)(C)C)cc(N3CCOCC3)n2n1.

What is the InChIKey of trimethyl-[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]stannane?

The InChIKey is CJIANEJNPJSEFB-NAHFIZEDSA-N. The full InChI is InChI=1S/C19H23N4O.3CH3.Sn/c1-3-5-6-8-16(7-4-2)17-15-18-20-10-9-19(23(18)21-17)22-11-13-24-14-12-22;;;;/h4-9,15H,3,11-14H2,1-2H3;3*1H3;/b6-5+,7-4-,16-8+;;;;.

What are the key properties of trimethyl-[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]stannane?

trimethyl-[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]stannane has a molecular weight of 487.24 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[7-morpholin-4-yl-2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]stannane is sourced from PubChem (CID 168921770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).