6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one;2-[6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;2-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol

C107H102N30O7S — CID 163427495

About 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one;2-[6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;2-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol

6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one;2-[6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;2-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol (PubChem CID 163427495) has the molecular formula C107H102N30O7S and a molecular weight of 1952.26 g/mol. Its IUPAC name is 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one;2-[6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;2-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol.

Molecular Properties

• Compound Name: 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one;2-[6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;2-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol
• PubChem CID: 163427495
• Molecular Formula: C107H102N30O7S
• Molecular Weight: 1952.26 g/mol
• Exact Mass: 1950.83
• IUPAC Name: 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one;2-[6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;2-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol
• SMILES: CC(C)(O)c1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cn12.CC(C)(O)c1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)cn12.Cn1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4n3CCC4)cc2c1=O.Cn1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4occn34)cc2c1=O.Cn1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4sccn34)cc2c1=O
• InChI: InChI=1S/C22H24N6O.C22H22N6O.C21H20N6O2.C21H18N6O2.C21H18N6OS/c1-22(2,29)17-12-23-18-8-5-14(13-27(17)18)21-20(24-19-4-3-10-26(19)21)16-9-11-28(25-16)15-6-7-15;1-26-13-23-17-8-7-14(12-16(17)22(26)29)21-20(24-19-6-3-10-27(19)21)18-9-11-28(25-18)15-4-2-5-15;1-21(2,28)16-11-22-17-6-3-13(12-26(16)17)19-18(23-20-25(19)9-10-29-20)15-7-8-27(24-15)14-4-5-14;2*1-25-12-22-16-6-5-13(11-15(16)20(25)28)19-18(23-21-26(19)9-10-29-21)17-7-8-27(24-17)14-3-2-4-14/h5,8-9,11-13,15,29H,3-4,6-7,10H2,1-2H3;7-9,11-13,15H,2-6,10H2,1H3;3,6-12,14,28H,4-5H2,1-2H3;2*5-12,14H,2-4H2,1H3
• InChIKey: ANTYRYUEKSVQTL-UHFFFAOYSA-N
• XLogP: 17.90
• TPSA: 382.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 38
• Rotatable Bonds: 17
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1952.26
LogP ≤ 5	17.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one;2-[6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;2-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol?

The IUPAC name of 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one;2-[6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;2-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol (CID 163427495) is 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one;2-[6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;2-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol.

What is the SMILES notation for 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one;2-[6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;2-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol?

The canonical SMILES for 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one;2-[6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;2-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol is CC(C)(O)c1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cn12.CC(C)(O)c1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)cn12.Cn1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4n3CCC4)cc2c1=O.Cn1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4occn34)cc2c1=O.Cn1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4sccn34)cc2c1=O.

What is the InChIKey of 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one;2-[6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;2-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol?

The InChIKey is ANTYRYUEKSVQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O.C22H22N6O.C21H20N6O2.C21H18N6O2.C21H18N6OS/c1-22(2,29)17-12-23-18-8-5-14(13-27(17)18)21-20(24-19-4-3-10-26(19)21)16-9-11-28(25-16)15-6-7-15;1-26-13-23-17-8-7-14(12-16(17)22(26)29)21-20(24-19-6-3-10-27(19)21)18-9-11-28(25-18)15-4-2-5-15;1-21(2,28)16-11-22-17-6-3-13(12-26(16)17)19-18(23-20-25(19)9-10-29-20)15-7-8-27(24-15)14-4-5-14;2*1-25-12-22-16-6-5-13(11-15(16)20(25)28)19-18(23-21-26(19)9-10-29-21)17-7-8-27(24-17)14-3-2-4-14/h5,8-9,11-13,15,29H,3-4,6-7,10H2,1-2H3;7-9,11-13,15H,2-6,10H2,1H3;3,6-12,14,28H,4-5H2,1-2H3;2*5-12,14H,2-4H2,1H3.

What are the key properties of 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one;2-[6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;2-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol?

6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one;2-[6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;2-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol has a molecular weight of 1952.26 g/mol, XLogP of 17.90, 17 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-methylquinazolin-4-one;6-[6-(1-cyclobutylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-methylquinazolin-4-one;2-[6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol;2-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol is sourced from PubChem (CID 163427495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).