N-[2-(2-aminoethoxy)ethyl]-4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride

C25H27ClF2N6O3 — CID 162384534

About N-[2-(2-aminoethoxy)ethyl]-4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride

N-[2-(2-aminoethoxy)ethyl]-4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride (PubChem CID 162384534) has the molecular formula C25H27ClF2N6O3 and a molecular weight of 532.98 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-(2-aminoethoxy)ethyl]-4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride
• PubChem CID: 162384534
• Molecular Formula: C25H27ClF2N6O3
• Molecular Weight: 532.98 g/mol
• Exact Mass: 532.18
• IUPAC Name: N-[2-(2-aminoethoxy)ethyl]-4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride
• SMILES: Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)NCCOCCN.Cl
• InChI: InChI=1S/C25H26F2N6O3.ClH/c1-16-14-18(4-7-20(16)24(34)30-10-13-35-12-8-28)32-22-23-31-15-21(33(23)11-9-29-22)17-2-5-19(6-3-17)36-25(26)27;/h2-7,9,11,14-15,25H,8,10,12-13,28H2,1H3,(H,29,32)(H,30,34);1H
• InChIKey: QBHLIGNLOVEETN-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 115.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.98
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride?

The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride (CID 162384534) is N-[2-(2-aminoethoxy)ethyl]-4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride.

What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride?

The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride is Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)NCCOCCN.Cl.

What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride?

The InChIKey is QBHLIGNLOVEETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N6O3.ClH/c1-16-14-18(4-7-20(16)24(34)30-10-13-35-12-8-28)32-22-23-31-15-21(33(23)11-9-29-22)17-2-5-19(6-3-17)36-25(26)27;/h2-7,9,11,14-15,25H,8,10,12-13,28H2,1H3,(H,29,32)(H,30,34);1H.

What are the key properties of N-[2-(2-aminoethoxy)ethyl]-4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride?

N-[2-(2-aminoethoxy)ethyl]-4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride has a molecular weight of 532.98 g/mol, XLogP of 4.18, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-aminoethoxy)ethyl]-4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 162384534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).