tert-butyl 4-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate

C34H38N8O4 — CID 86345944

About tert-butyl 4-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate

tert-butyl 4-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 86345944) has the molecular formula C34H38N8O4 and a molecular weight of 622.73 g/mol. Its IUPAC name is tert-butyl 4-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate
• PubChem CID: 86345944
• Molecular Formula: C34H38N8O4
• Molecular Weight: 622.73 g/mol
• Exact Mass: 622.30
• IUPAC Name: tert-butyl 4-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOCC4)c4nc(COc5ccc6ccccc6n5)cn34)cn2)CC1
• InChI: InChI=1S/C34H38N8O4/c1-34(2,3)46-33(43)41-14-12-39(13-15-41)29-10-8-25(20-35-29)28-21-36-31(40-16-18-44-19-17-40)32-37-26(22-42(28)32)23-45-30-11-9-24-6-4-5-7-27(24)38-30/h4-11,20-22H,12-19,23H2,1-3H3
• InChIKey: WLQDKVLMLCYTSW-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 110.45 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.73
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate?

The IUPAC name of tert-butyl 4-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate (CID 86345944) is tert-butyl 4-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cnc(N4CCOCC4)c4nc(COc5ccc6ccccc6n5)cn34)cn2)CC1.

What is the InChIKey of tert-butyl 4-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate?

The InChIKey is WLQDKVLMLCYTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N8O4/c1-34(2,3)46-33(43)41-14-12-39(13-15-41)29-10-8-25(20-35-29)28-21-36-31(40-16-18-44-19-17-40)32-37-26(22-42(28)32)23-45-30-11-9-24-6-4-5-7-27(24)38-30/h4-11,20-22H,12-19,23H2,1-3H3.

What are the key properties of tert-butyl 4-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate?

tert-butyl 4-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 622.73 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 86345944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).