6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one

C25H28N8O — CID 146407871

About 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one

6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one (PubChem CID 146407871) has the molecular formula C25H28N8O and a molecular weight of 456.55 g/mol. Its IUPAC name is 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one.

Molecular Properties

• Compound Name: 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
• PubChem CID: 146407871
• Molecular Formula: C25H28N8O
• Molecular Weight: 456.55 g/mol
• Exact Mass: 456.24
• IUPAC Name: 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one
• SMILES: O=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCN4)ccc2ncn1CCN1CCCC1
• InChI: InChI=1S/C25H28N8O/c34-24-19-15-17(3-6-20(19)27-16-31(24)14-13-30-9-1-2-10-30)23-22(28-25-26-8-12-32(23)25)21-7-11-33(29-21)18-4-5-18/h3,6-7,11,15-16,18H,1-2,4-5,8-10,12-14H2,(H,26,28)
• InChIKey: UCRUAVUTKFHLFJ-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 85.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.55
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?

The IUPAC name of 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one (CID 146407871) is 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one.

What is the SMILES notation for 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?

The canonical SMILES for 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one is O=c1c2cc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCN4)ccc2ncn1CCN1CCCC1.

What is the InChIKey of 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?

The InChIKey is UCRUAVUTKFHLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O/c34-24-19-15-17(3-6-20(19)27-16-31(24)14-13-30-9-1-2-10-30)23-22(28-25-26-8-12-32(23)25)21-7-11-33(29-21)18-4-5-18/h3,6-7,11,15-16,18H,1-2,4-5,8-10,12-14H2,(H,26,28).

What are the key properties of 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one?

6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one has a molecular weight of 456.55 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-(2-pyrrolidin-1-ylethyl)quinazolin-4-one is sourced from PubChem (CID 146407871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).