N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide

C30H35N7O4 — CID 142373476

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESO=C(CCCCCCNC(=O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1)NO
InChIInChI=1S/C30H35N7O4/c38-27(35-40)8-3-1-2-4-13-32-30(39)23-7-5-6-22(20-23)26-21-37-15-14-31-29(37)28(34-26)33-24-9-11-25(12-10-24)36-16-18-41-19-17-36/h5-7,9-12,14-15,20-21,40H,1-4,8,13,16-19H2,(H,32,39)(H,33,34)(H,35,38)
InChIKeyJIHUQKBATKHGCP-UHFFFAOYSA-N
MW557.66 g/mol
LogP4.16
Rot. Bonds12

About N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide

N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide (PubChem CID 142373476) has the molecular formula C30H35N7O4 and a molecular weight of 557.66 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide
PubChem CID142373476
Molecular FormulaC30H35N7O4
Molecular Weight557.66 g/mol
Exact Mass557.28
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESO=C(CCCCCCNC(=O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1)NO
InChIInChI=1S/C30H35N7O4/c38-27(35-40)8-3-1-2-4-13-32-30(39)23-7-5-6-22(20-23)26-21-37-15-14-31-29(37)28(34-26)33-24-9-11-25(12-10-24)36-16-18-41-19-17-36/h5-7,9-12,14-15,20-21,40H,1-4,8,13,16-19H2,(H,32,39)(H,33,34)(H,35,38)
InChIKeyJIHUQKBATKHGCP-UHFFFAOYSA-N
XLogP4.16
TPSA133.12 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.66
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide (CID 142373476) is N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide is O=C(CCCCCCNC(=O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The InChIKey is JIHUQKBATKHGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O4/c38-27(35-40)8-3-1-2-4-13-32-30(39)23-7-5-6-22(20-23)26-21-37-15-14-31-29(37)28(34-26)33-24-9-11-25(12-10-24)36-16-18-41-19-17-36/h5-7,9-12,14-15,20-21,40H,1-4,8,13,16-19H2,(H,32,39)(H,33,34)(H,35,38).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide has a molecular weight of 557.66 g/mol, XLogP of 4.16, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide is sourced from PubChem (CID 142373476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).