7-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine

C28H29N7O2 — CID 140744760

About 7-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine

7-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 140744760) has the molecular formula C28H29N7O2 and a molecular weight of 495.59 g/mol. Its IUPAC name is 7-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

• Compound Name: 7-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
• PubChem CID: 140744760
• Molecular Formula: C28H29N7O2
• Molecular Weight: 495.59 g/mol
• Exact Mass: 495.24
• IUPAC Name: 7-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
• SMILES: [C-]#[N+]c1ccc(-c2nc(OC[C@@H]3CCCN(C)C3)n3ccnc3c2-c2cnc3c(c2)OCCN3C)cc1
• InChI: InChI=1S/C28H29N7O2/c1-29-22-8-6-20(7-9-22)25-24(21-15-23-26(31-16-21)34(3)13-14-36-23)27-30-10-12-35(27)28(32-25)37-18-19-5-4-11-33(2)17-19/h6-10,12,15-16,19H,4-5,11,13-14,17-18H2,2-3H3/t19-/m1/s1
• InChIKey: GBGMXBNWALGSBI-LJQANCHMSA-N
• XLogP: 4.56
• TPSA: 72.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.59
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?

The IUPAC name of 7-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 140744760) is 7-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine.

What is the SMILES notation for 7-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?

The canonical SMILES for 7-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine is [C-]#[N+]c1ccc(-c2nc(OC[C@@H]3CCCN(C)C3)n3ccnc3c2-c2cnc3c(c2)OCCN3C)cc1.

What is the InChIKey of 7-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?

The InChIKey is GBGMXBNWALGSBI-LJQANCHMSA-N. The full InChI is InChI=1S/C28H29N7O2/c1-29-22-8-6-20(7-9-22)25-24(21-15-23-26(31-16-21)34(3)13-14-36-23)27-30-10-12-35(27)28(32-25)37-18-19-5-4-11-33(2)17-19/h6-10,12,15-16,19H,4-5,11,13-14,17-18H2,2-3H3/t19-/m1/s1.

What are the key properties of 7-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?

7-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 495.59 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 140744760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).