N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide

C27H29N5O2 — CID 90256676

IUPACN-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCCC(CNc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12)OC
InChIInChI=1S/C27H29N5O2/c1-3-22(34-2)15-28-25-26-29-16-24(32(26)17-23(31-25)18-7-5-4-6-8-18)19-9-11-20(12-10-19)27(33)30-21-13-14-21/h4-12,16-17,21-22H,3,13-15H2,1-2H3,(H,28,31)(H,30,33)
InChIKeyZWLSTDXZKGPSCF-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.79
Rot. Bonds9

About N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 90256676) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID90256676
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC NameN-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCCC(CNc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12)OC
InChIInChI=1S/C27H29N5O2/c1-3-22(34-2)15-28-25-26-29-16-24(32(26)17-23(31-25)18-7-5-4-6-8-18)19-9-11-20(12-10-19)27(33)30-21-13-14-21/h4-12,16-17,21-22H,3,13-15H2,1-2H3,(H,28,31)(H,30,33)
InChIKeyZWLSTDXZKGPSCF-UHFFFAOYSA-N
XLogP4.79
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[8-(2-aminopropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 67973384
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67973429
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
N-cyclopropyl-4-[6-[3-(methoxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57406684
3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide
CID 67972903
5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid
CID 67976568
4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 123258800
2-[3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetic acid
CID 57382783
N-cyclopropyl-4-[8-[3-[(2R)-2,3-dihydroxypropoxy]propylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67973299
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (CID 90256676) is N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is CCC(CNc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12)OC.
What is the InChIKey of N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is ZWLSTDXZKGPSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-3-22(34-2)15-28-25-26-29-16-24(32(26)17-23(31-25)18-7-5-4-6-8-18)19-9-11-20(12-10-19)27(33)30-21-13-14-21/h4-12,16-17,21-22H,3,13-15H2,1-2H3,(H,28,31)(H,30,33).
What are the key properties of N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 455.56 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 90256676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).