(1R)-1-(1-methylazetidin-3-yl)-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide

C23H29N7O3S — CID 177039669

About (1R)-1-(1-methylazetidin-3-yl)-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide

(1R)-1-(1-methylazetidin-3-yl)-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide (PubChem CID 177039669) has the molecular formula C23H29N7O3S and a molecular weight of 483.60 g/mol. Its IUPAC name is (1R)-1-(1-methylazetidin-3-yl)-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide.

Molecular Properties

• Compound Name: (1R)-1-(1-methylazetidin-3-yl)-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
• PubChem CID: 177039669
• Molecular Formula: C23H29N7O3S
• Molecular Weight: 483.60 g/mol
• Exact Mass: 483.21
• IUPAC Name: (1R)-1-(1-methylazetidin-3-yl)-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide
• SMILES: CN1CC([C@@H]2CN=C3N(Cc4cnn(C)c4)C(=O)c4cc(S(=O)(=O)NC5(C)CC5)ccc4N32)C1
• InChI: InChI=1S/C23H29N7O3S/c1-23(6-7-23)26-34(32,33)17-4-5-19-18(8-17)21(31)29(12-15-9-25-28(3)11-15)22-24-10-20(30(19)22)16-13-27(2)14-16/h4-5,8-9,11,16,20,26H,6-7,10,12-14H2,1-3H3/t20-/m0/s1
• InChIKey: HVSYYIIWEVCTEQ-FQEVSTJZSA-N
• XLogP: 1.01
• TPSA: 103.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.60
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-methylazetidin-3-yl)-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide?

The IUPAC name of (1R)-1-(1-methylazetidin-3-yl)-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide (CID 177039669) is (1R)-1-(1-methylazetidin-3-yl)-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide.

What is the SMILES notation for (1R)-1-(1-methylazetidin-3-yl)-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide?

The canonical SMILES for (1R)-1-(1-methylazetidin-3-yl)-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide is CN1CC([C@@H]2CN=C3N(Cc4cnn(C)c4)C(=O)c4cc(S(=O)(=O)NC5(C)CC5)ccc4N32)C1.

What is the InChIKey of (1R)-1-(1-methylazetidin-3-yl)-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide?

The InChIKey is HVSYYIIWEVCTEQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29N7O3S/c1-23(6-7-23)26-34(32,33)17-4-5-19-18(8-17)21(31)29(12-15-9-25-28(3)11-15)22-24-10-20(30(19)22)16-13-27(2)14-16/h4-5,8-9,11,16,20,26H,6-7,10,12-14H2,1-3H3/t20-/m0/s1.

What are the key properties of (1R)-1-(1-methylazetidin-3-yl)-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide?

(1R)-1-(1-methylazetidin-3-yl)-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide has a molecular weight of 483.60 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-(1-methylazetidin-3-yl)-N-(1-methylcyclopropyl)-4-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1,2-dihydroimidazo[1,2-a]quinazoline-7-sulfonamide is sourced from PubChem (CID 177039669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).