methyl 4-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate

C28H27N7O2 — CID 155180510

About methyl 4-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate

methyl 4-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 155180510) has the molecular formula C28H27N7O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is methyl 4-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: methyl 4-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
• PubChem CID: 155180510
• Molecular Formula: C28H27N7O2
• Molecular Weight: 493.57 g/mol
• Exact Mass: 493.22
• IUPAC Name: methyl 4-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
• SMILES: COC(=O)N1CCC(n2cc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cn2)CC1
• InChI: InChI=1S/C28H27N7O2/c1-37-27(36)33-11-6-23(7-12-33)35-18-21(15-32-35)20-14-30-26-31-16-25(34(26)17-20)28(8-9-28)22-4-5-24-19(13-22)3-2-10-29-24/h2-5,10,13-18,23H,6-9,11-12H2,1H3
• InChIKey: HMPBVHOLLJEOPM-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 90.44 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.57
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate?

The IUPAC name of methyl 4-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate (CID 155180510) is methyl 4-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate.

What is the SMILES notation for methyl 4-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate?

The canonical SMILES for methyl 4-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate is COC(=O)N1CCC(n2cc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cn2)CC1.

What is the InChIKey of methyl 4-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate?

The InChIKey is HMPBVHOLLJEOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O2/c1-37-27(36)33-11-6-23(7-12-33)35-18-21(15-32-35)20-14-30-26-31-16-25(34(26)17-20)28(8-9-28)22-4-5-24-19(13-22)3-2-10-29-24/h2-5,10,13-18,23H,6-9,11-12H2,1H3.

What are the key properties of methyl 4-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate?

methyl 4-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 493.57 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 155180510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).