1-[6-cyclopropyl-2-[[[2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]imidazolidine-2,4-dione

C31H28N8O2 — CID 170694160

About 1-[6-cyclopropyl-2-[[[2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]imidazolidine-2,4-dione

1-[6-cyclopropyl-2-[[[2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]imidazolidine-2,4-dione (PubChem CID 170694160) has the molecular formula C31H28N8O2 and a molecular weight of 544.62 g/mol. Its IUPAC name is 1-[6-cyclopropyl-2-[[[2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[6-cyclopropyl-2-[[[2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]imidazolidine-2,4-dione
• PubChem CID: 170694160
• Molecular Formula: C31H28N8O2
• Molecular Weight: 544.62 g/mol
• Exact Mass: 544.23
• IUPAC Name: 1-[6-cyclopropyl-2-[[[2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]imidazolidine-2,4-dione
• SMILES: Cc1ccnc([C@H]2C[C@@H]2c2ccc3ccc(NCc4cn5cc(C6CC6)cc(N6CC(=O)NC6=O)c5n4)cc3n2)n1
• InChI: InChI=1S/C31H28N8O2/c1-17-8-9-32-29(34-17)24-12-23(24)25-7-5-19-4-6-21(11-26(19)36-25)33-13-22-15-38-14-20(18-2-3-18)10-27(30(38)35-22)39-16-28(40)37-31(39)41/h4-11,14-15,18,23-24,33H,2-3,12-13,16H2,1H3,(H,37,40,41)/t23-,24-/m0/s1
• InChIKey: PMGSVMALCWCULS-ZEQRLZLVSA-N
• XLogP: 4.80
• TPSA: 117.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.62
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-cyclopropyl-2-[[[2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]imidazolidine-2,4-dione?

The IUPAC name of 1-[6-cyclopropyl-2-[[[2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]imidazolidine-2,4-dione (CID 170694160) is 1-[6-cyclopropyl-2-[[[2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]imidazolidine-2,4-dione.

What is the SMILES notation for 1-[6-cyclopropyl-2-[[[2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]imidazolidine-2,4-dione?

The canonical SMILES for 1-[6-cyclopropyl-2-[[[2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]imidazolidine-2,4-dione is Cc1ccnc([C@H]2C[C@@H]2c2ccc3ccc(NCc4cn5cc(C6CC6)cc(N6CC(=O)NC6=O)c5n4)cc3n2)n1.

What is the InChIKey of 1-[6-cyclopropyl-2-[[[2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]imidazolidine-2,4-dione?

The InChIKey is PMGSVMALCWCULS-ZEQRLZLVSA-N. The full InChI is InChI=1S/C31H28N8O2/c1-17-8-9-32-29(34-17)24-12-23(24)25-7-5-19-4-6-21(11-26(19)36-25)33-13-22-15-38-14-20(18-2-3-18)10-27(30(38)35-22)39-16-28(40)37-31(39)41/h4-11,14-15,18,23-24,33H,2-3,12-13,16H2,1H3,(H,37,40,41)/t23-,24-/m0/s1.

What are the key properties of 1-[6-cyclopropyl-2-[[[2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]imidazolidine-2,4-dione?

1-[6-cyclopropyl-2-[[[2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]imidazolidine-2,4-dione has a molecular weight of 544.62 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-cyclopropyl-2-[[[2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 170694160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).