6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one

C101H108N28O5S2 — CID 163735281

About 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one

6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one (PubChem CID 163735281) has the molecular formula C101H108N28O5S2 and a molecular weight of 1858.30 g/mol. Its IUPAC name is 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one.

Molecular Properties

• Compound Name: 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
• PubChem CID: 163735281
• Molecular Formula: C101H108N28O5S2
• Molecular Weight: 1858.30 g/mol
• Exact Mass: 1856.85
• IUPAC Name: 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
• SMILES: CC(C)n1ccc(-c2nc3n(c2-c2ccc4ncn(CCN5CCCC5)c(=O)c4c2)CCC3)n1.CC(C)n1ccc(-c2nc3sccn3c2-c2ccc3ncn(CCN4CCCC4)c(=O)c3c2)n1.O=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)ccc2ncn1CCN1CCCC1.O=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4sccn34)ccc2ncn1CCN1CCCC1
• InChI: InChI=1S/C26H31N7O.C25H25N7O2.C25H25N7OS.C25H27N7OS/c1-18(2)33-13-9-22(29-33)24-25(32-12-5-6-23(32)28-24)19-7-8-21-20(16-19)26(34)31(17-27-21)15-14-30-10-3-4-11-30;2*33-24-19-15-17(3-6-20(19)26-16-30(24)12-11-29-8-1-2-9-29)23-22(27-25-31(23)13-14-34-25)21-7-10-32(28-21)18-4-5-18;1-17(2)32-10-7-21(28-32)22-23(31-13-14-34-25(31)27-22)18-5-6-20-19(15-18)24(33)30(16-26-20)12-11-29-8-3-4-9-29/h7-9,13,16-18H,3-6,10-12,14-15H2,1-2H3;2*3,6-7,10,13-16,18H,1-2,4-5,8-9,11-12H2;5-7,10,13-17H,3-4,8-9,11-12H2,1-2H3
• InChIKey: LDBBXGXUYKTCRS-UHFFFAOYSA-N
• XLogP: 15.72
• TPSA: 306.66 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1858.30
LogP ≤ 5	15.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

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

The IUPAC name of 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one (CID 163735281) is 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one.

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

The canonical SMILES for 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one is CC(C)n1ccc(-c2nc3n(c2-c2ccc4ncn(CCN5CCCC5)c(=O)c4c2)CCC3)n1.CC(C)n1ccc(-c2nc3sccn3c2-c2ccc3ncn(CCN4CCCC4)c(=O)c3c2)n1.O=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4occn34)ccc2ncn1CCN1CCCC1.O=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4sccn34)ccc2ncn1CCN1CCCC1.

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

The InChIKey is LDBBXGXUYKTCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O.C25H25N7O2.C25H25N7OS.C25H27N7OS/c1-18(2)33-13-9-22(29-33)24-25(32-12-5-6-23(32)28-24)19-7-8-21-20(16-19)26(34)31(17-27-21)15-14-30-10-3-4-11-30;2*33-24-19-15-17(3-6-20(19)26-16-30(24)12-11-29-8-1-2-9-29)23-22(27-25-31(23)13-14-34-25)21-7-10-32(28-21)18-4-5-18;1-17(2)32-10-7-21(28-32)22-23(31-13-14-34-25(31)27-22)18-5-6-20-19(15-18)24(33)30(16-26-20)12-11-29-8-3-4-9-29/h7-9,13,16-18H,3-6,10-12,14-15H2,1-2H3;2*3,6-7,10,13-16,18H,1-2,4-5,8-9,11-12H2;5-7,10,13-17H,3-4,8-9,11-12H2,1-2H3.

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

6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one has a molecular weight of 1858.30 g/mol, XLogP of 15.72, 24 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[2-(1-propan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one;6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one is sourced from PubChem (CID 163735281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).