1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile

C28H21N5 — CID 25144819

About 1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile

1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile (PubChem CID 25144819) has the molecular formula C28H21N5 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

• Compound Name: 1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile
• PubChem CID: 25144819
• Molecular Formula: C28H21N5
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.18
• IUPAC Name: 1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile
• SMILES: N#CC1(c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cc2)CC1
• InChI: InChI=1S/C28H21N5/c29-18-27(9-10-27)22-5-3-19(4-6-22)21-15-31-26-32-16-25(33(26)17-21)28(11-12-28)23-7-8-24-20(14-23)2-1-13-30-24/h1-8,13-17H,9-12H2
• InChIKey: ZLJKOUVCKSGXTR-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 66.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile (CID 25144819) is 1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile.

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

The canonical SMILES for 1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile is N#CC1(c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cc2)CC1.

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

The InChIKey is ZLJKOUVCKSGXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N5/c29-18-27(9-10-27)22-5-3-19(4-6-22)21-15-31-26-32-16-25(33(26)17-21)28(11-12-28)23-7-8-24-20(14-23)2-1-13-30-24/h1-8,13-17H,9-12H2.

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

1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile has a molecular weight of 427.51 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 25144819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).