2-[4-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide

C31H26FN7O — CID 25145380

About 2-[4-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide

2-[4-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 25145380) has the molecular formula C31H26FN7O and a molecular weight of 531.60 g/mol. Its IUPAC name is 2-[4-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[4-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide
• PubChem CID: 25145380
• Molecular Formula: C31H26FN7O
• Molecular Weight: 531.60 g/mol
• Exact Mass: 531.22
• IUPAC Name: 2-[4-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide
• SMILES: CN(C)C(=O)Cn1cc(-c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cc2F)cn1
• InChI: InChI=1S/C31H26FN7O/c1-37(2)29(40)19-38-17-23(15-36-38)25-7-5-20(13-26(25)32)22-14-34-30-35-16-28(39(30)18-22)31(9-10-31)24-6-8-27-21(12-24)4-3-11-33-27/h3-8,11-18H,9-10,19H2,1-2H3
• InChIKey: BUDPNCKJGGVMIL-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 81.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.60
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide?

The IUPAC name of 2-[4-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide (CID 25145380) is 2-[4-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[4-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide?

The canonical SMILES for 2-[4-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(-c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cc2F)cn1.

What is the InChIKey of 2-[4-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide?

The InChIKey is BUDPNCKJGGVMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN7O/c1-37(2)29(40)19-38-17-23(15-36-38)25-7-5-20(13-26(25)32)22-14-34-30-35-16-28(39(30)18-22)31(9-10-31)24-6-8-27-21(12-24)4-3-11-33-27/h3-8,11-18H,9-10,19H2,1-2H3.

What are the key properties of 2-[4-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide?

2-[4-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 531.60 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 25145380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).