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

C29H27N7O2 — CID 152892092

IUPACN-(2-aminophenyl)-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESNc1ccccc1NC(=O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C29H27N7O2/c30-24-6-1-2-7-25(24)34-29(37)21-5-3-4-20(18-21)26-19-36-13-12-31-28(36)27(33-26)32-22-8-10-23(11-9-22)35-14-16-38-17-15-35/h1-13,18-19H,14-17,30H2,(H,32,33)(H,34,37)
InChIKeyUDQKBEGWMYPPEH-UHFFFAOYSA-N
MW505.58 g/mol
LogP4.81
Rot. Bonds6

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

N-(2-aminophenyl)-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide (PubChem CID 152892092) has the molecular formula C29H27N7O2 and a molecular weight of 505.58 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide
PubChem CID152892092
Molecular FormulaC29H27N7O2
Molecular Weight505.58 g/mol
Exact Mass505.22
IUPAC NameN-(2-aminophenyl)-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESNc1ccccc1NC(=O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C29H27N7O2/c30-24-6-1-2-7-25(24)34-29(37)21-5-3-4-20(18-21)26-19-36-13-12-31-28(36)27(33-26)32-22-8-10-23(11-9-22)35-14-16-38-17-15-35/h1-13,18-19H,14-17,30H2,(H,32,33)(H,34,37)
InChIKeyUDQKBEGWMYPPEH-UHFFFAOYSA-N
XLogP4.81
TPSA109.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.58
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The IUPAC name of N-(2-aminophenyl)-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide (CID 152892092) is N-(2-aminophenyl)-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide is Nc1ccccc1NC(=O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1.
What is the InChIKey of N-(2-aminophenyl)-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The InChIKey is UDQKBEGWMYPPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O2/c30-24-6-1-2-7-25(24)34-29(37)21-5-3-4-20(18-21)26-19-36-13-12-31-28(36)27(33-26)32-22-8-10-23(11-9-22)35-14-16-38-17-15-35/h1-13,18-19H,14-17,30H2,(H,32,33)(H,34,37).
What are the key properties of N-(2-aminophenyl)-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide?
N-(2-aminophenyl)-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide has a molecular weight of 505.58 g/mol, XLogP of 4.81, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide is sourced from PubChem (CID 152892092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).