6-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one

C27H25N7O3 — CID 140744636

About 6-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one

6-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 140744636) has the molecular formula C27H25N7O3 and a molecular weight of 495.54 g/mol. Its IUPAC name is 6-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 6-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one
• PubChem CID: 140744636
• Molecular Formula: C27H25N7O3
• Molecular Weight: 495.54 g/mol
• Exact Mass: 495.20
• IUPAC Name: 6-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one
• SMILES: [C-]#[N+]c1ccc(-c2nc(OC[C@@H]3CCCN(C)C3)n3ccnc3c2-c2cnc3c(c2)oc(=O)n3C)cc1
• InChI: InChI=1S/C27H25N7O3/c1-28-20-8-6-18(7-9-20)23-22(19-13-21-24(30-14-19)33(3)27(35)37-21)25-29-10-12-34(25)26(31-23)36-16-17-5-4-11-32(2)15-17/h6-10,12-14,17H,4-5,11,15-16H2,2-3H3/t17-/m1/s1
• InChIKey: SBBYRPYAJFZHFT-QGZVFWFLSA-N
• XLogP: 4.17
• TPSA: 95.05 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.54
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one?

The IUPAC name of 6-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 140744636) is 6-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one.

What is the SMILES notation for 6-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one?

The canonical SMILES for 6-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one is [C-]#[N+]c1ccc(-c2nc(OC[C@@H]3CCCN(C)C3)n3ccnc3c2-c2cnc3c(c2)oc(=O)n3C)cc1.

What is the InChIKey of 6-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one?

The InChIKey is SBBYRPYAJFZHFT-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H25N7O3/c1-28-20-8-6-18(7-9-20)23-22(19-13-21-24(30-14-19)33(3)27(35)37-21)25-29-10-12-34(25)26(31-23)36-16-17-5-4-11-32(2)15-17/h6-10,12-14,17H,4-5,11,15-16H2,2-3H3/t17-/m1/s1.

What are the key properties of 6-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one?

6-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 495.54 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 140744636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).