N-cyclopropyl-4-[6-[4-(dimethylamino)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide

C28H32N6O2 — CID 67976583

IUPACN-cyclopropyl-4-[6-[4-(dimethylamino)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCN(C)c1ccc(-c2cn3c(-c4ccc(C(=O)NC5CC5)cc4)cnc3c(NCC(C)(C)O)n2)cc1
InChIInChI=1S/C28H32N6O2/c1-28(2,36)17-30-25-26-29-15-24(19-5-7-20(8-6-19)27(35)31-21-11-12-21)34(26)16-23(32-25)18-9-13-22(14-10-18)33(3)4/h5-10,13-16,21,36H,11-12,17H2,1-4H3,(H,30,32)(H,31,35)
InChIKeyQNBHLQMVXKHPPE-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.20
Rot. Bonds8

About N-cyclopropyl-4-[6-[4-(dimethylamino)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-4-[6-[4-(dimethylamino)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 67976583) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-[4-(dimethylamino)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-[4-(dimethylamino)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID67976583
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC NameN-cyclopropyl-4-[6-[4-(dimethylamino)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCN(C)c1ccc(-c2cn3c(-c4ccc(C(=O)NC5CC5)cc4)cnc3c(NCC(C)(C)O)n2)cc1
InChIInChI=1S/C28H32N6O2/c1-28(2,36)17-30-25-26-29-15-24(19-5-7-20(8-6-19)27(35)31-21-11-12-21)34(26)16-23(32-25)18-9-13-22(14-10-18)33(3)4/h5-10,13-16,21,36H,11-12,17H2,1-4H3,(H,30,32)(H,31,35)
InChIKeyQNBHLQMVXKHPPE-UHFFFAOYSA-N
XLogP4.20
TPSA94.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67973429
N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67976879
4-[6-[3-(2-amino-2-oxoethyl)-4-methylphenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 67990725
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 57380552
N-cyclopropyl-4-[6-(4-ethenylphenyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57407262
N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381227
4-[8-(2-aminopropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 67973384
N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381452
N-cyclopropyl-4-[6-phenyl-8-(2-sulfamoylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67990733
5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid
CID 67976568
N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 90256676
N-cyclopropyl-4-[8-(oxolan-2-ylmethylamino)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 90123620

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-[4-(dimethylamino)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[6-[4-(dimethylamino)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 67976583) is N-cyclopropyl-4-[6-[4-(dimethylamino)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-[4-(dimethylamino)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[6-[4-(dimethylamino)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide is CN(C)c1ccc(-c2cn3c(-c4ccc(C(=O)NC5CC5)cc4)cnc3c(NCC(C)(C)O)n2)cc1.
What is the InChIKey of N-cyclopropyl-4-[6-[4-(dimethylamino)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is QNBHLQMVXKHPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-28(2,36)17-30-25-26-29-15-24(19-5-7-20(8-6-19)27(35)31-21-11-12-21)34(26)16-23(32-25)18-9-13-22(14-10-18)33(3)4/h5-10,13-16,21,36H,11-12,17H2,1-4H3,(H,30,32)(H,31,35).
What are the key properties of N-cyclopropyl-4-[6-[4-(dimethylamino)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[6-[4-(dimethylamino)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 484.60 g/mol, XLogP of 4.20, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-[4-(dimethylamino)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 67976583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).