4-tert-butyl-N-[5-[8-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide

C37H38N8O — CID 11585277

IUPAC4-tert-butyl-N-[5-[8-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide
SMILESCc1ccc(-c2cn3ccnc3c(Nc3ccc(CN4CCn5ccnc5C4)cc3)n2)cc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C37H38N8O/c1-25-5-8-28(21-31(25)42-36(46)27-9-11-29(12-10-27)37(2,3)4)32-23-45-18-16-39-35(45)34(41-32)40-30-13-6-26(7-14-30)22-43-19-20-44-17-15-38-33(44)24-43/h5-18,21,23H,19-20,22,24H2,1-4H3,(H,40,41)(H,42,46)
InChIKeySLHQTAYINFHPIE-UHFFFAOYSA-N
MW610.77 g/mol
LogP7.21
Rot. Bonds7

About 4-tert-butyl-N-[5-[8-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide

4-tert-butyl-N-[5-[8-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide (PubChem CID 11585277) has the molecular formula C37H38N8O and a molecular weight of 610.77 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-[8-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-[8-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide
PubChem CID11585277
Molecular FormulaC37H38N8O
Molecular Weight610.77 g/mol
Exact Mass610.32
IUPAC Name4-tert-butyl-N-[5-[8-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide
SMILESCc1ccc(-c2cn3ccnc3c(Nc3ccc(CN4CCn5ccnc5C4)cc3)n2)cc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C37H38N8O/c1-25-5-8-28(21-31(25)42-36(46)27-9-11-29(12-10-27)37(2,3)4)32-23-45-18-16-39-35(45)34(41-32)40-30-13-6-26(7-14-30)22-43-19-20-44-17-15-38-33(44)24-43/h5-18,21,23H,19-20,22,24H2,1-4H3,(H,40,41)(H,42,46)
InChIKeySLHQTAYINFHPIE-UHFFFAOYSA-N
XLogP7.21
TPSA92.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.77
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-tert-butyl-N-[5-[8-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-[8-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[5-[8-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide (CID 11585277) is 4-tert-butyl-N-[5-[8-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[5-[8-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[5-[8-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide is Cc1ccc(-c2cn3ccnc3c(Nc3ccc(CN4CCn5ccnc5C4)cc3)n2)cc1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[5-[8-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide?
The InChIKey is SLHQTAYINFHPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N8O/c1-25-5-8-28(21-31(25)42-36(46)27-9-11-29(12-10-27)37(2,3)4)32-23-45-18-16-39-35(45)34(41-32)40-30-13-6-26(7-14-30)22-43-19-20-44-17-15-38-33(44)24-43/h5-18,21,23H,19-20,22,24H2,1-4H3,(H,40,41)(H,42,46).
What are the key properties of 4-tert-butyl-N-[5-[8-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide?
4-tert-butyl-N-[5-[8-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide has a molecular weight of 610.77 g/mol, XLogP of 7.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-[8-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide is sourced from PubChem (CID 11585277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).