N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

C28H30N6O — CID 57381452

IUPACN-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCCN4CCCC4)nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C28H30N6O/c35-28(31-23-12-13-23)22-10-8-21(9-11-22)25-18-30-27-26(29-14-17-33-15-4-5-16-33)32-24(19-34(25)27)20-6-2-1-3-7-20/h1-3,6-11,18-19,23H,4-5,12-17H2,(H,29,32)(H,31,35)
InChIKeyWJBOGHKJMIWLKK-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.46
Rot. Bonds8

About N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 57381452) has the molecular formula C28H30N6O and a molecular weight of 466.59 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID57381452
Molecular FormulaC28H30N6O
Molecular Weight466.59 g/mol
Exact Mass466.25
IUPAC NameN-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCCN4CCCC4)nc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C28H30N6O/c35-28(31-23-12-13-23)22-10-8-21(9-11-22)25-18-30-27-26(29-14-17-33-15-4-5-16-33)32-24(19-34(25)27)20-6-2-1-3-7-20/h1-3,6-11,18-19,23H,4-5,12-17H2,(H,29,32)(H,31,35)
InChIKeyWJBOGHKJMIWLKK-UHFFFAOYSA-N
XLogP4.46
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-[6-phenyl-8-(2-sulfamoylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67990733
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67973429
4-[8-(2-aminopropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 67973384
5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid
CID 67976568
N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381227
N-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381228
N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 90256676
N-cyclopropyl-4-[8-[3-[(2R)-2,3-dihydroxypropoxy]propylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67973299
N-cyclopropyl-4-[8-(3,3-dimethylbutylsulfinyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53390013
4-[8-(2-aminoethylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 53389814
N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389614
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-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 57381452) is N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(NCCN4CCCC4)nc(-c4ccccc4)cn23)cc1.
What is the InChIKey of N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is WJBOGHKJMIWLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O/c35-28(31-23-12-13-23)22-10-8-21(9-11-22)25-18-30-27-26(29-14-17-33-15-4-5-16-33)32-24(19-34(25)27)20-6-2-1-3-7-20/h1-3,6-11,18-19,23H,4-5,12-17H2,(H,29,32)(H,31,35).
What are the key properties of N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 466.59 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 57381452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).