N-[2-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-(3-morpholin-4-ylpropyl)amino]ethyl]-4-fluoro-N-methylbenzamide

C41H43FN6O4 — CID 118284605

IUPACN-[2-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-(3-morpholin-4-ylpropyl)amino]ethyl]-4-fluoro-N-methylbenzamide
SMILESCN(CCN(CCCN1CCOCC1)Oc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12)C(=O)c1ccc(F)cc1
InChIInChI=1S/C41H43FN6O4/c1-45(40(49)33-15-17-34(42)18-16-33)21-22-47(20-9-19-46-23-26-50-27-24-46)52-41-37(29-35-14-8-25-51-35)44-39-36(28-31-10-4-2-5-11-31)43-38(30-48(39)41)32-12-6-3-7-13-32/h2-8,10-18,25,30H,9,19-24,26-29H2,1H3
InChIKeyAPLSTYXXPSQSTK-UHFFFAOYSA-N
MW702.83 g/mol
LogP6.40
Rot. Bonds15

About N-[2-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-(3-morpholin-4-ylpropyl)amino]ethyl]-4-fluoro-N-methylbenzamide

N-[2-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-(3-morpholin-4-ylpropyl)amino]ethyl]-4-fluoro-N-methylbenzamide (PubChem CID 118284605) has the molecular formula C41H43FN6O4 and a molecular weight of 702.83 g/mol. Its IUPAC name is N-[2-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-(3-morpholin-4-ylpropyl)amino]ethyl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-(3-morpholin-4-ylpropyl)amino]ethyl]-4-fluoro-N-methylbenzamide
PubChem CID118284605
Molecular FormulaC41H43FN6O4
Molecular Weight702.83 g/mol
Exact Mass702.33
IUPAC NameN-[2-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-(3-morpholin-4-ylpropyl)amino]ethyl]-4-fluoro-N-methylbenzamide
SMILESCN(CCN(CCCN1CCOCC1)Oc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12)C(=O)c1ccc(F)cc1
InChIInChI=1S/C41H43FN6O4/c1-45(40(49)33-15-17-34(42)18-16-33)21-22-47(20-9-19-46-23-26-50-27-24-46)52-41-37(29-35-14-8-25-51-35)44-39-36(28-31-10-4-2-5-11-31)43-38(30-48(39)41)32-12-6-3-7-13-32/h2-8,10-18,25,30H,9,19-24,26-29H2,1H3
InChIKeyAPLSTYXXPSQSTK-UHFFFAOYSA-N
XLogP6.40
TPSA88.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.83
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-(3-morpholin-4-ylpropyl)amino]ethyl]-4-fluoro-N-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-(3-morpholin-4-ylpropyl)amino]ethyl]-4-fluoro-N-methylbenzamide?
The IUPAC name of N-[2-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-(3-morpholin-4-ylpropyl)amino]ethyl]-4-fluoro-N-methylbenzamide (CID 118284605) is N-[2-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-(3-morpholin-4-ylpropyl)amino]ethyl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[2-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-(3-morpholin-4-ylpropyl)amino]ethyl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-[2-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-(3-morpholin-4-ylpropyl)amino]ethyl]-4-fluoro-N-methylbenzamide is CN(CCN(CCCN1CCOCC1)Oc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-(3-morpholin-4-ylpropyl)amino]ethyl]-4-fluoro-N-methylbenzamide?
The InChIKey is APLSTYXXPSQSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H43FN6O4/c1-45(40(49)33-15-17-34(42)18-16-33)21-22-47(20-9-19-46-23-26-50-27-24-46)52-41-37(29-35-14-8-25-51-35)44-39-36(28-31-10-4-2-5-11-31)43-38(30-48(39)41)32-12-6-3-7-13-32/h2-8,10-18,25,30H,9,19-24,26-29H2,1H3.
What are the key properties of N-[2-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-(3-morpholin-4-ylpropyl)amino]ethyl]-4-fluoro-N-methylbenzamide?
N-[2-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-(3-morpholin-4-ylpropyl)amino]ethyl]-4-fluoro-N-methylbenzamide has a molecular weight of 702.83 g/mol, XLogP of 6.40, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-(3-morpholin-4-ylpropyl)amino]ethyl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 118284605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).