4-tert-butyl-N-[2-methyl-5-[8-(N-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide

C35H38N6O2 — CID 11699808

IUPAC4-tert-butyl-N-[2-methyl-5-[8-(N-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
SMILESCc1ccc(-c2cn3ccnc3c(N(C)c3ccc(N4CCOCC4)cc3)n2)cc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C35H38N6O2/c1-24-6-7-26(22-30(24)38-34(42)25-8-10-27(11-9-25)35(2,3)4)31-23-41-17-16-36-32(41)33(37-31)39(5)28-12-14-29(15-13-28)40-18-20-43-21-19-40/h6-17,22-23H,18-21H2,1-5H3,(H,38,42)
InChIKeyGWKVEPSPWJYXIM-UHFFFAOYSA-N
MW574.73 g/mol
LogP6.86
Rot. Bonds6

About 4-tert-butyl-N-[2-methyl-5-[8-(N-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide

4-tert-butyl-N-[2-methyl-5-[8-(N-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide (PubChem CID 11699808) has the molecular formula C35H38N6O2 and a molecular weight of 574.73 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-methyl-5-[8-(N-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-methyl-5-[8-(N-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
PubChem CID11699808
Molecular FormulaC35H38N6O2
Molecular Weight574.73 g/mol
Exact Mass574.31
IUPAC Name4-tert-butyl-N-[2-methyl-5-[8-(N-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
SMILESCc1ccc(-c2cn3ccnc3c(N(C)c3ccc(N4CCOCC4)cc3)n2)cc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C35H38N6O2/c1-24-6-7-26(22-30(24)38-34(42)25-8-10-27(11-9-25)35(2,3)4)31-23-41-17-16-36-32(41)33(37-31)39(5)28-12-14-29(15-13-28)40-18-20-43-21-19-40/h6-17,22-23H,18-21H2,1-5H3,(H,38,42)
InChIKeyGWKVEPSPWJYXIM-UHFFFAOYSA-N
XLogP6.86
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.73
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[2-methyl-5-[8-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11606928
4-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide
CID 58688035
4-tert-butyl-N-[3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11541211
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-morpholin-4-ylbenzamide
CID 121149343
4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11714059
4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080212
4-[[6-[3-[(4-tert-butylbenzoyl)amino]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzamide
CID 69200599
4-fluoro-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055671
4-tert-butyl-N-[3-[8-[4-[(3R)-3-methylpiperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 59754738
4-[[3-[8-(4-tert-butylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]carbamoyl]benzoic acid
CID 90656833
3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
CID 110362463
N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide
CID 11397050

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-methyl-5-[8-(N-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-methyl-5-[8-(N-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide (CID 11699808) is 4-tert-butyl-N-[2-methyl-5-[8-(N-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-methyl-5-[8-(N-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-methyl-5-[8-(N-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide is Cc1ccc(-c2cn3ccnc3c(N(C)c3ccc(N4CCOCC4)cc3)n2)cc1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-methyl-5-[8-(N-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?
The InChIKey is GWKVEPSPWJYXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N6O2/c1-24-6-7-26(22-30(24)38-34(42)25-8-10-27(11-9-25)35(2,3)4)31-23-41-17-16-36-32(41)33(37-31)39(5)28-12-14-29(15-13-28)40-18-20-43-21-19-40/h6-17,22-23H,18-21H2,1-5H3,(H,38,42).
What are the key properties of 4-tert-butyl-N-[2-methyl-5-[8-(N-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?
4-tert-butyl-N-[2-methyl-5-[8-(N-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide has a molecular weight of 574.73 g/mol, XLogP of 6.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-methyl-5-[8-(N-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide is sourced from PubChem (CID 11699808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).